[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C23H25ClN2O6/c1-30-19-8-7-18(13-20(19)31-2)25-21(27)14-32-23(29)16-9-11-26(12-10-16)22(28)15-3-5-17(24)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,27)