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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO3/c1-14-5-10-19(12-15(14)2)26-21(25)17-4-3-11-23(13-17)20(24)16-6-8-18(22)9-7-16/h5-10,12,17H,3-4,11,13H2,1-2H3/t17-/m0/s1