[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-(trifluoromethyloxy)benzoate Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20F3NO4 MolecularWeight: 395.37231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C20H20F3NO4/c1-12(2)16-6-4-5-7-17(16)24-18(25)13(3)27-19(26)14-8-10-15(11-9-14)28-20(21,22)23/h4-13H,1-3H3,(H,24,25)/t13-/m0/s1