[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(5-tert-butyl-2-methoxy-anilino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C26H31ClN2O5 MolecularWeight: 486.98774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O5/c1-26(2,3)19-7-10-22(33-4)21(15-19)28-23(30)16-34-25(32)18-11-13-29(14-12-18)24(31)17-5-8-20(27)9-6-17/h5-10,15,18H,11-14,16H2,1-4H3,(H,28,30)