tert-butyl (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate

Systemtic Name: tert-butyl (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate Openeye Name: tert-butyl (3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate CAS Name: (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-chlorophenyl)-1-methyl-nipecotic acid tert-butyl ester Formula: C17H24ClNO2 MolecularWeight: 309.83096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCC1C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H24ClNO2/c1-17(2,3)21-16(20)15-11-19(4)10-9-14(15)12-5-7-13(18)8-6-12/h5-8,14-15H,9-11H2,1-4H3/t14-,15+/m1/s1