tert-butyl (3S,4R)-4-(4-fluorophenyl)-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: tert-butyl (3S,4R)-4-(4-fluorophenyl)-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidine-3-carboxylate CAS Name: (3S,4R)-4-(4-fluorophenyl)-1-(phenylmethyl)-3-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidine-3-carboxylate Traditional Name: (3S,4R)-1-benzyl-4-(4-fluorophenyl)nipecotic acid tert-butyl ester Formula: C23H28FNO2 MolecularWeight: 369.472323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCC1C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CN(CC[C@H]1C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C23H28FNO2/c1-23(2,3)27-22(26)21-16-25(15-17-7-5-4-6-8-17)14-13-20(21)18-9-11-19(24)12-10-18/h4-12,20-21H,13-16H2,1-3H3/t20-,21+/m0/s1