[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-(trifluoromethyl)benzoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21F3O3 MolecularWeight: 378.38485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3O3/c1-13(18(25)14-8-10-16(11-9-14)20(2,3)4)27-19(26)15-6-5-7-17(12-15)21(22,23)24/h5-13H,1-4H3/t13-/m1/s1