(phenylmethyl) 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-piperidine-4-carboxylate Openeye Name: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-isonipecotic acid benzyl ester Formula: C33H35FN2O2 MolecularWeight: 510.641603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4CCC(CC4)(C#N)C5=CC=C(C=C5)F

Isomeric SMILES

CC1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4CCC(CC4)(C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H35FN2O2/c1-25-22-36(30-16-18-32(24-35,19-17-30)27-12-14-29(34)15-13-27)21-20-33(25,28-10-6-3-7-11-28)31(37)38-23-26-8-4-2-5-9-26/h2-15,25,30H,16-23H2,1H3