[(1S)-2-oxidanylidenecyclohexyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H22ClNO4 MolecularWeight: 363.83528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClNO4/c20-15-7-5-13(6-8-15)18(23)21-11-9-14(10-12-21)19(24)25-17-4-2-1-3-16(17)22/h5-8,14,17H,1-4,9-12H2/t17-/m0/s1