[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(trifluoromethyl)phenyl]ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-[4-(trifluoromethyl)phenyl]acetate CAS Name: 2-[4-(trifluoromethyl)phenyl]acetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[4-(trifluoromethyl)phenyl]acetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C25H29F3O2 MolecularWeight: 418.49177

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC2=CC=C(C=C2)C(F)(F)F)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC2=CC=C(C=C2)C(F)(F)F)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C25H29F3O2/c1-17-9-14-21(24(2,3)19-7-5-4-6-8-19)22(15-17)30-23(29)16-18-10-12-20(13-11-18)25(26,27)28/h4-8,10-13,17,21-22H,9,14-16H2,1-3H3/t17-,21-,22-/m1/s1