2-methylpropyl (3S,4R)-4-(4-fluorophenyl)-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: 2-methylpropyl (3S,4R)-4-(4-fluorophenyl)-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: isobutyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidine-3-carboxylate CAS Name: (3S,4R)-4-(4-fluorophenyl)-1-(phenylmethyl)-3-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidine-3-carboxylate Traditional Name: (3S,4R)-1-benzyl-4-(4-fluorophenyl)nipecotic acid isobutyl ester Formula: C23H28FNO2 MolecularWeight: 369.472323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO2/c1-17(2)16-27-23(26)22-15-25(14-18-6-4-3-5-7-18)13-12-21(22)19-8-10-20(24)11-9-19/h3-11,17,21-22H,12-16H2,1-2H3/t21-,22+/m0/s1