[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloro-4-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-methylanilino)-4-oxobutanoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloro-4-methylanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-methyl-anilino)-4-keto-butyric acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H22ClNO4/c1-17-7-12-21(15-22(17)26)27-24(29)13-14-25(30)31-16-23(28)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,27,29)