[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C28H27ClN2O4 MolecularWeight: 490.97798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H27ClN2O4/c1-19-7-13-24(14-8-19)30-26(32)25(20-5-3-2-4-6-20)35-28(34)22-15-17-31(18-16-22)27(33)21-9-11-23(29)12-10-21/h2-14,22,25H,15-18H2,1H3,(H,30,32)