4-[2-(2-carboxyethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-(2-carboxyethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-(2-carboxyethyl)-5-(p-tolyl)pyrrol-1-yl]benzoic acid CAS Name: 4-[2-(2-carboxyethyl)-5-(4-methylphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-(2-carboxyethyl)-5-(p-tolyl)pyrrol-1-yl]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C21H19NO4/c1-14-2-4-15(5-3-14)19-12-10-18(11-13-20(23)24)22(19)17-8-6-16(7-9-17)21(25)26/h2-10,12H,11,13H2,1H3,(H,23,24)(H,25,26)