ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(6-methylpyridin-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(6-methylpyridin-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(6-methyl-3-pyridinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(6-methylnicotinoyl)nipecotic acid ethyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CN=C(C=C2)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CN=C(C=C2)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-3-28-21(27)22(13-17-6-4-7-19(23)12-17)10-5-11-25(15-22)20(26)18-9-8-16(2)24-14-18/h4,6-9,12,14H,3,5,10-11,13,15H2,1-2H3/t22-/m0/s1