(4-methoxyphenyl) 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-piperidine-4-carboxylate hydrochloride

Systemtic Name: (4-methoxyphenyl) 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-piperidine-4-carboxylate hydrochloride Openeye Name: (4-methoxyphenyl) 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-piperidine-4-carboxylate hydrochloride CAS Name: 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-piperidinecarboxylic acid (4-methoxyphenyl) ester hydrochloride IUPAC Name: (4-methoxyphenyl) 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-isonipecotic acid (4-methoxyphenyl) ester hydrochloride Formula: C27H32ClFN2O3 MolecularWeight: 487.005983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1C(=O)OC2=CC=C(C=C2)OC)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

CC1CN(CCC1C(=O)OC2=CC=C(C=C2)OC)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C27H31FN2O3.ClH/c1-19-17-30(16-13-25(19)26(31)33-24-9-7-23(32-2)8-10-24)22-11-14-27(18-29,15-12-22)20-3-5-21(28)6-4-20;/h3-10,19,22,25H,11-17H2,1-2H3;1H