4-[3-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[3-[2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H23N3O4/c1-15-11-18(25(30)31)5-10-23(15)28-16(2)12-19(17(28)3)13-20(14-26)24(29)27-21-6-8-22(32-4)9-7-21/h5-13H,1-4H3,(H,27,29)(H,30,31)