[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 4,4,4-tris(fluoranyl)-3-(4-methoxyphenyl)imino-2-methyl-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 4,4,4-tris(fluoranyl)-3-(4-methoxyphenyl)imino-2-methyl-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 4,4,4-trifluoro-3-(4-methoxyphenyl)imino-2-methyl-butanoate CAS Name: 4,4,4-trifluoro-3-(4-methoxyphenyl)imino-2-methylbutanoic 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] 4,4,4-trifluoro-3-(4-methoxyphenyl)imino-2-methylbutanoate Traditional Name: 4,4,4-trifluoro-3-(4-methoxyphenyl)imino-2-methyl-butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H34F3NO3 MolecularWeight: 489.56967

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)C(=NC2=CC=C(C=C2)OC)C(F)(F)F)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)C(=NC2=CC=C(C=C2)OC)C(F)(F)F)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C28H34F3NO3/c1-18-11-16-23(27(3,4)20-9-7-6-8-10-20)24(17-18)35-26(33)19(2)25(28(29,30)31)32-21-12-14-22(34-5)15-13-21/h6-10,12-15,18-19,23-24H,11,16-17H2,1-5H3/t18-,19?,23-,24-/m1/s1