Pyrroles

Aromatic organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms and one nitrogen atom that forms an amine functional group.

1 – 15 of 673 results

5-Bromo-1-methyl-1H-indole-3-carboxylic acid, 97%

CAS: 400071-95-6 Molecular Formula: C₁₀H₈BrNO₂ Molecular Weight (g/mol): 254.08 MDL Number: MFCD14706162 InChI Key: WQZLFFJMRKTCMU-UHFFFAOYSA-N Synonym: 5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid; PubChem CID: 11032413 IUPAC Name: 5-bromo-1-methylindole-3-carboxylic acid SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O

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Specifications

PubChem CID	11032413
CAS	400071-95-6
Molecular Weight (g/mol)	254.08
MDL Number	MFCD14706162
SMILES	CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O
Synonym	5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid;
IUPAC Name	5-bromo-1-methylindole-3-carboxylic acid
InChI Key	WQZLFFJMRKTCMU-UHFFFAOYSA-N
Molecular Formula	C₁₀H₈BrNO₂

Thermo Scientific Chemicals Atorvastatin calcium trihydrate

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1

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Specifications

CAS	344423-98-9
Molecular Weight (g/mol)	1209.41
SMILES	O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
IUPAC Name	calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate
InChI Key	SHZPNDRIDUBNMH-NIJVSVLQSA-L
Molecular Formula	C66H74CaF2N4O13

1,2,5-Trimethyl-1H-pyrrole-3-carboxylic acid, Technical Grade, Thermo Scientific™

CAS: 175276-50-3 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00203866 InChI Key: JTEBLTWGSAXWEE-UHFFFAOYSA-N Synonym: 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid,maybridge1_002499,3-carboxy-1,2,5-trimethyl-1h-pyrrole,1,2,5-trimethyl-3-pyrrolecarboxylic acid,1h-pyrrole-3-carboxylicacid,1,2,5-trimethyl,1h-pyrrole-3-carboxylicacid, 1,2,5-trimethyl,1h-pyrrole-3-carboxylic acid, 1,2,5-trimethyl PubChem CID: 736491 IUPAC Name: 1,2,5-trimethylpyrrole-3-carboxylic acid SMILES: CN1C(C)=CC(C(O)=O)=C1C

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PubChem CID	736491
CAS	175276-50-3
Molecular Weight (g/mol)	153.18
MDL Number	MFCD00203866
SMILES	CN1C(C)=CC(C(O)=O)=C1C
Synonym	1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid,maybridge1_002499,3-carboxy-1,2,5-trimethyl-1h-pyrrole,1,2,5-trimethyl-3-pyrrolecarboxylic acid,1h-pyrrole-3-carboxylicacid,1,2,5-trimethyl,1h-pyrrole-3-carboxylicacid, 1,2,5-trimethyl,1h-pyrrole-3-carboxylic acid, 1,2,5-trimethyl
IUPAC Name	1,2,5-trimethylpyrrole-3-carboxylic acid
InChI Key	JTEBLTWGSAXWEE-UHFFFAOYSA-N
Molecular Formula	C8H11NO2

[4-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 143426-51-1 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD03659708 InChI Key: LQQQPLUFBVYLRE-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl phenyl methanol,1-4-hydroxymethylphenyl pyrrole,4-1h-pyrrol-1-yl benzyl alcohol,4-pyrrol-1-yl phenyl methanol,benzenemethanol,4-1h-pyrrol-1-yl,4-pyrrolylphenyl methan-1-ol,4-1h-pyrrol-1-yl benzylalcohol,pubchem11303,4-pyrrol-1-ylphenyl methanol PubChem CID: 599478 IUPAC Name: (4-pyrrol-1-ylphenyl)methanol SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	599478
CAS	143426-51-1
Molecular Weight (g/mol)	173.215
MDL Number	MFCD03659708
SMILES	C1=CN(C=C1)C2=CC=C(C=C2)CO
Synonym	4-1h-pyrrol-1-yl phenyl methanol,1-4-hydroxymethylphenyl pyrrole,4-1h-pyrrol-1-yl benzyl alcohol,4-pyrrol-1-yl phenyl methanol,benzenemethanol,4-1h-pyrrol-1-yl,4-pyrrolylphenyl methan-1-ol,4-1h-pyrrol-1-yl benzylalcohol,pubchem11303,4-pyrrol-1-ylphenyl methanol
IUPAC Name	(4-pyrrol-1-ylphenyl)methanol
InChI Key	LQQQPLUFBVYLRE-UHFFFAOYSA-N
Molecular Formula	C11H11NO

1-Methylindole-3-carboxylic acid, 97%

CAS: 32387-21-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD01321244 InChI Key: HVRCLXXJIQTXHC-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-3-carboxylic acid,1-methyl-3-indolecarboxylic acid,1h-indole-3-carboxylic acid, 1-methyl,1-methylindole-3-carboxylicacid,n-methylindole-3-carboxylic acid,pubchem7285,ramosetron impurity 7,acmc-209hsw,1-methylindole-3-carboxilic acid PubChem CID: 854040 IUPAC Name: 1-methyl-1H-indole-3-carboxylic acid SMILES: CN1C=C(C(O)=O)C2=CC=CC=C12

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Specifications

PubChem CID	854040
CAS	32387-21-6
Molecular Weight (g/mol)	175.19
MDL Number	MFCD01321244
SMILES	CN1C=C(C(O)=O)C2=CC=CC=C12
Synonym	1-methyl-1h-indole-3-carboxylic acid,1-methyl-3-indolecarboxylic acid,1h-indole-3-carboxylic acid, 1-methyl,1-methylindole-3-carboxylicacid,n-methylindole-3-carboxylic acid,pubchem7285,ramosetron impurity 7,acmc-209hsw,1-methylindole-3-carboxilic acid
IUPAC Name	1-methyl-1H-indole-3-carboxylic acid
InChI Key	HVRCLXXJIQTXHC-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

Ethyl 4-phenylpyrrole-3-carboxylate, 97%

CAS: 64276-62-6 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.252 MDL Number: MFCD03931521 InChI Key: VNZGRYAVCWGZCT-UHFFFAOYSA-N Synonym: ethyl 4-phenylpyrrole-3-carboxylate,4-phenyl-1h-pyrrole-3-carboxylic acid ethyl ester,4-phenylpyrrole-3-carboxylic acid ethyl ester,acmc-20akyb,3-carboethoxy-4-phenylpyrrole,3-carbethoxy-4-phenylpyrrole,ethyl4-phenyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-phenyl-, ethyl ester PubChem CID: 4154165 IUPAC Name: ethyl 4-phenyl-1H-pyrrole-3-carboxylate SMILES: CCOC(=O)C1=CNC=C1C2=CC=CC=C2

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Specifications

PubChem CID	4154165
CAS	64276-62-6
Molecular Weight (g/mol)	215.252
MDL Number	MFCD03931521
SMILES	CCOC(=O)C1=CNC=C1C2=CC=CC=C2
Synonym	ethyl 4-phenylpyrrole-3-carboxylate,4-phenyl-1h-pyrrole-3-carboxylic acid ethyl ester,4-phenylpyrrole-3-carboxylic acid ethyl ester,acmc-20akyb,3-carboethoxy-4-phenylpyrrole,3-carbethoxy-4-phenylpyrrole,ethyl4-phenyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-phenyl-, ethyl ester
IUPAC Name	ethyl 4-phenyl-1H-pyrrole-3-carboxylate
InChI Key	VNZGRYAVCWGZCT-UHFFFAOYSA-N
Molecular Formula	C13H13NO2

1-Phenylpyrrole, 99%

CAS: 635-90-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00005343 InChI Key: GEZGAZKEOUKLBR-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrrole,n-phenylpyrrole,pyrrole, 1-phenyl,1h-pyrrole, 1-phenyl,unii-3od6n6545h,chembl84459,1-phenylpyrrol,acmc-209ngl,1-phenylpyrrole,1-phenyl-1h-pyrrole # PubChem CID: 12480 IUPAC Name: 1-phenylpyrrole SMILES: C1=CN(C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	12480
CAS	635-90-5
Molecular Weight (g/mol)	143.19
MDL Number	MFCD00005343
SMILES	C1=CN(C=C1)C1=CC=CC=C1
Synonym	1-phenyl-1h-pyrrole,n-phenylpyrrole,pyrrole, 1-phenyl,1h-pyrrole, 1-phenyl,unii-3od6n6545h,chembl84459,1-phenylpyrrol,acmc-209ngl,1-phenylpyrrole,1-phenyl-1h-pyrrole #
IUPAC Name	1-phenylpyrrole
InChI Key	GEZGAZKEOUKLBR-UHFFFAOYSA-N
Molecular Formula	C10H9N

2,5-Dimethyl-1-phenylpyrrole-3-carboxaldehyde, 98+%

CAS: 83-18-1 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.25 MDL Number: MFCD00051494 InChI Key: LNROIXNEIZSESG-UHFFFAOYSA-N Synonym: 2,5-dimethyl-1-phenyl-1h-pyrrole-3-carbaldehyde,2,5-dimethyl-1-phenylpyrrole-3-carboxaldehyde,1h-pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-phenyl,2,5-dimethyl-1-phenyl-1h-pyrrole-3-carboxaldehyde,osm-s-28,10.14272/lnroixneizsesg-uhfffaoysa-n,2,5-dimethyl-1-phenyl-3-pyrrolecarboxaldehyde,pyrrole-3-carboxaldehyde,5-dimethyl-1-phenyl,2,5-dimethyl-1-phenyl pyrrole-3-carboxaldehyde,1-phenyl-2,5-dimethyl-1h-pyrrole-3-carbaldehyde PubChem CID: 66515 IUPAC Name: 2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde SMILES: CC1=CC(C=O)=C(C)N1C1=CC=CC=C1

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Specifications

PubChem CID	66515
CAS	83-18-1
Molecular Weight (g/mol)	199.25
MDL Number	MFCD00051494
SMILES	CC1=CC(C=O)=C(C)N1C1=CC=CC=C1
Synonym	2,5-dimethyl-1-phenyl-1h-pyrrole-3-carbaldehyde,2,5-dimethyl-1-phenylpyrrole-3-carboxaldehyde,1h-pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-phenyl,2,5-dimethyl-1-phenyl-1h-pyrrole-3-carboxaldehyde,osm-s-28,10.14272/lnroixneizsesg-uhfffaoysa-n,2,5-dimethyl-1-phenyl-3-pyrrolecarboxaldehyde,pyrrole-3-carboxaldehyde,5-dimethyl-1-phenyl,2,5-dimethyl-1-phenyl pyrrole-3-carboxaldehyde,1-phenyl-2,5-dimethyl-1h-pyrrole-3-carbaldehyde
IUPAC Name	2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde
InChI Key	LNROIXNEIZSESG-UHFFFAOYSA-N
Molecular Formula	C13H13NO

1-(4-Iodophenyl)pyrrole, 97%

CAS: 92636-36-7 Molecular Formula: C10H8IN Molecular Weight (g/mol): 269.085 MDL Number: MFCD00052399 InChI Key: FMURNAZHVQDQQN-UHFFFAOYSA-N Synonym: 1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole # PubChem CID: 272430 IUPAC Name: 1-(4-iodophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I

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Specifications

PubChem CID	272430
CAS	92636-36-7
Molecular Weight (g/mol)	269.085
MDL Number	MFCD00052399
SMILES	C1=CN(C=C1)C2=CC=C(C=C2)I
Synonym	1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole #
IUPAC Name	1-(4-iodophenyl)pyrrole
InChI Key	FMURNAZHVQDQQN-UHFFFAOYSA-N
Molecular Formula	C10H8IN

Indole-3-carboxylic acid, 99%

CAS: 771-50-6 Molecular Formula: C₉H₇NO₂ Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

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Specifications

PubChem CID	69867
CAS	771-50-6
Molecular Weight (g/mol)	161.16
ChEBI	CHEBI:24809
MDL Number	MFCD00005624
SMILES	C1=CC=C2C(=C1)C(=CN2)C(=O)O
Synonym	indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico
IUPAC Name	1H-indole-3-carboxylic acid
InChI Key	KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular Formula	C₉H₇NO₂

Indole-3-carboxylic acid, 98%

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

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Specifications

PubChem CID	69867
CAS	771-50-6
Molecular Weight (g/mol)	161.16
ChEBI	CHEBI:24809
MDL Number	MFCD00005624
SMILES	C1=CC=C2C(=C1)C(=CN2)C(=O)O
Synonym	indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico
IUPAC Name	1H-indole-3-carboxylic acid
InChI Key	KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

3-(1H-Pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 61471-45-2 Molecular Formula: C11H8NO2 Molecular Weight (g/mol): 186.19 MDL Number: MFCD02656610 InChI Key: PODFNQCZFHLJPH-UHFFFAOYSA-M PubChem CID: 736537 SMILES: [O-]C(=O)C1=CC=CC(=C1)N1C=CC=C1

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Specifications

PubChem CID	736537
CAS	61471-45-2
Molecular Weight (g/mol)	186.19
MDL Number	MFCD02656610
SMILES	[O-]C(=O)C1=CC=CC(=C1)N1C=CC=C1
InChI Key	PODFNQCZFHLJPH-UHFFFAOYSA-M
Molecular Formula	C11H8NO2

2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 92028-57-4 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.25 MDL Number: MFCD01125264 InChI Key: ZLYUUANOICYAAL-UHFFFAOYSA-N Synonym: 2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 292956 IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid SMILES: CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O

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Specifications

PubChem CID	292956
CAS	92028-57-4
Molecular Weight (g/mol)	215.25
MDL Number	MFCD01125264
SMILES	CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O
Synonym	2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl
IUPAC Name	2-(2,5-dimethylpyrrol-1-yl)benzoic acid
InChI Key	ZLYUUANOICYAAL-UHFFFAOYSA-N
Molecular Formula	C13H13NO2

Pyrrole-3-carboxylic acid hydrate, 95%

CAS: 336100-46-0 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.10 MDL Number: MFCD06201862 InChI Key: DOYOPBSXEIZLRE-UHFFFAOYSA-N Synonym: pyrrole-3-carboxylic acid hydrate,1h-pyrrole-3-carboxylic acid hydrate,c5h5no2.h2o,1h-pyrrole-3-carboxylicacid, hydrate 1:? PubChem CID: 45076181 IUPAC Name: 1H-pyrrole-3-carboxylic acid;hydrate SMILES: OC(=O)C1=CNC=C1

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Specifications

PubChem CID	45076181
CAS	336100-46-0
Molecular Weight (g/mol)	111.10
MDL Number	MFCD06201862
SMILES	OC(=O)C1=CNC=C1
Synonym	pyrrole-3-carboxylic acid hydrate,1h-pyrrole-3-carboxylic acid hydrate,c5h5no2.h2o,1h-pyrrole-3-carboxylicacid, hydrate 1:?
IUPAC Name	1H-pyrrole-3-carboxylic acid;hydrate
InChI Key	DOYOPBSXEIZLRE-UHFFFAOYSA-N
Molecular Formula	C5H5NO2

1-Benzylindole-3-carboxylic acid, 95%

CAS: 27018-76-4 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.285 MDL Number: MFCD00057094 InChI Key: LVYDDRHDOKXFMW-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl PubChem CID: 33671 IUPAC Name: 1-benzylindole-3-carboxylic acid SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

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Specifications

PubChem CID	33671
CAS	27018-76-4
Molecular Weight (g/mol)	251.285
MDL Number	MFCD00057094
SMILES	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O
Synonym	1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl
IUPAC Name	1-benzylindole-3-carboxylic acid
InChI Key	LVYDDRHDOKXFMW-UHFFFAOYSA-N
Molecular Formula	C16H13NO2

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