3-[2-(2-carboxyethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2-carboxyethyl)-5-(p-tolyl)pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(2-carboxyethyl)-5-(4-methylphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(2-carboxyethyl)-5-(p-tolyl)pyrrol-1-yl]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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