[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN2O4/c23-19-8-6-17(7-9-19)21(27)25-12-10-18(11-13-25)22(28)29-15-20(26)24-14-16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-15H2,(H,24,26)