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

Systemtic Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]vinyl]benzoic acid Formula: C23H20N2O2 MolecularWeight: 356.4171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2/c1-15-4-10-22(11-5-15)25-16(2)12-20(17(25)3)13-21(14-24)18-6-8-19(9-7-18)23(26)27/h4-13H,1-3H3,(H,26,27)