ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-pyridin-2-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-pyridin-2-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-[3-(2-pyridyl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[1-oxo-3-(2-pyridinyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-pyridin-2-ylpropanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-[3-(2-pyridyl)propanoyl]nipecotic acid ethyl ester Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=CC=CC=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCC2=CC=CC=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O3/c1-2-29-22(28)23(16-18-7-5-8-19(24)15-18)12-6-14-26(17-23)21(27)11-10-20-9-3-4-13-25-20/h3-5,7-9,13,15H,2,6,10-12,14,16-17H2,1H3/t23-/m0/s1