methyl (4S)-4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: methyl (4S)-4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: methyl (4S)-4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-1-(3-phenylpropyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-1-(3-phenylpropyl)nipecotic acid methyl ester Formula: C22H26ClNO2 MolecularWeight: 371.90034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC1C2=CC=C(C=C2)Cl)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H26ClNO2/c1-26-22(25)21-16-24(14-5-8-17-6-3-2-4-7-17)15-13-20(21)18-9-11-19(23)12-10-18/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3/t20-,21?/m1/s1