methyl (3S)-1-[4-(4-chlorophenyl)carbonylpiperidin-2-yl]piperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-[4-(4-chlorophenyl)carbonylpiperidin-2-yl]piperidine-3-carboxylate Openeye Name: methyl (3S)-1-[4-(4-chlorobenzoyl)-2-piperidyl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-[(4-chlorophenyl)-oxomethyl]-2-piperidinyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[4-(4-chlorobenzoyl)piperidin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(4-chlorobenzoyl)-2-piperidyl]nipecotic acid methyl ester Formula: C19H25ClN2O3 MolecularWeight: 364.8664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)C2CC(CCN2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H]1CCCN(C1)C2CC(CCN2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H25ClN2O3/c1-25-19(24)15-3-2-10-22(12-15)17-11-14(8-9-21-17)18(23)13-4-6-16(20)7-5-13/h4-7,14-15,17,21H,2-3,8-12H2,1H3/t14?,15-,17?/m0/s1