[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3O5/c1-30-19-8-7-17(13-18(19)23)24-20(27)14-31-21(28)15-9-11-26(12-10-15)22(29)25-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)(H,25,29)