[3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 2-oxidanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 2-oxidanyl-4-(trifluoromethyl)benzoate Openeye Name: [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] 2-hydroxy-4-(trifluoromethyl)benzoate CAS Name: 2-hydroxy-4-(trifluoromethyl)benzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] ester IUPAC Name: [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] 2-hydroxy-4-(trifluoromethyl)benzoate Traditional Name: 2-hydroxy-4-(trifluoromethyl)benzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] ester Formula: C23H26F3NO4 MolecularWeight: 437.45205

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)O)O

Isomeric SMILES

CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)O)O

InChI

InChI=1S/C23H26F3NO4/c1-27(2)14-17-6-3-4-11-22(17,30)15-7-5-8-18(12-15)31-21(29)19-10-9-16(13-20(19)28)23(24,25)26/h5,7-10,12-13,17,28,30H,3-4,6,11,14H2,1-2H3