[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C26H25N3O4/c1-17-9-11-20(12-10-17)23(30)13-14-25(32)33-16-24(31)28-26-22(15-27)18(2)19(3)29(26)21-7-5-4-6-8-21/h4-12H,13-14,16H2,1-3H3,(H,28,31)