methyl 1-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanyl-ethoxy]methyl]-4-phenyl-cyclohexyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanyl-ethoxy]methyl]-4-phenyl-cyclohexyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-ethoxy]methyl]-4-phenyl-cyclohexyl]piperidine-4-carboxylate CAS Name: 1-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]-4-phenylcyclohexyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]-4-phenylcyclohexyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-ethoxy]methyl]-4-phenyl-cyclohexyl]isonipecotic acid methyl ester Formula: C30H35F6NO4 MolecularWeight: 587.593619

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2CCC(CC2)(COC(CO)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2CCC(CC2)(COC(CO)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C30H35F6NO4/c1-40-27(39)20-9-13-37(14-10-20)25-7-11-28(12-8-25,22-5-3-2-4-6-22)19-41-26(18-38)21-15-23(29(31,32)33)17-24(16-21)30(34,35)36/h2-6,15-17,20,25-26,38H,7-14,18-19H2,1H3