3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acryloyl]amino]benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C24H21N3O3/c1-15-7-9-22(10-8-15)27-16(2)11-19(17(27)3)12-20(14-25)23(28)26-21-6-4-5-18(13-21)24(29)30/h4-13H,1-3H3,(H,26,28)(H,29,30)