[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylate

Systemtic Name: [(2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylate Openeye Name: [(2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylate CAS Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-3-piperidinecarboxylic acid [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S,4S)-4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate Traditional Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-nipecotic acid [(2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H34FNO2 MolecularWeight: 375.519963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CN(CCC2C3=CC=C(C=C3)F)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C(C1)OC(=O)[C@@H]2CN(CC[C@@H]2C3=CC=C(C=C3)F)C)C(C)C

InChI

InChI=1S/C23H34FNO2/c1-15(2)19-10-5-16(3)13-22(19)27-23(26)21-14-25(4)12-11-20(21)17-6-8-18(24)9-7-17/h6-9,15-16,19-22H,5,10-14H2,1-4H3/t16-,19+,20-,21-,22?/m1/s1