(2,6-dimethylphenyl) (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (2,6-dimethylphenyl) (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (2,6-dimethylphenyl) (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid (2,6-dimethylphenyl) ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3/c1-14-5-3-6-15(2)19(14)26-21(25)17-7-4-12-23(13-17)20(24)16-8-10-18(22)11-9-16/h3,5-6,8-11,17H,4,7,12-13H2,1-2H3/t17-/m0/s1