phenyl 1-[4-(5-chloranyl-2-methoxy-phenyl)-4-cyano-cyclohexyl]piperidine-4-carboxylate

Systemtic Name: phenyl 1-[4-(5-chloranyl-2-methoxy-phenyl)-4-cyano-cyclohexyl]piperidine-4-carboxylate Openeye Name: phenyl 1-[4-(5-chloro-2-methoxy-phenyl)-4-cyano-cyclohexyl]piperidine-4-carboxylate CAS Name: 1-[4-(5-chloro-2-methoxyphenyl)-4-cyanocyclohexyl]-4-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[4-(5-chloro-2-methoxyphenyl)-4-cyanocyclohexyl]piperidine-4-carboxylate Traditional Name: 1-[4-(5-chloro-2-methoxy-phenyl)-4-cyano-cyclohexyl]isonipecotic acid phenyl ester Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2(CCC(CC2)N3CCC(CC3)C(=O)OC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2(CCC(CC2)N3CCC(CC3)C(=O)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H29ClN2O3/c1-31-24-8-7-20(27)17-23(24)26(18-28)13-9-21(10-14-26)29-15-11-19(12-16-29)25(30)32-22-5-3-2-4-6-22/h2-8,17,19,21H,9-16H2,1H3