[(2S)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C18H16F3NO4 MolecularWeight: 367.31915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O

InChI

InChI=1S/C18H16F3NO4/c1-10-6-7-14(15(23)8-10)17(25)26-11(2)16(24)22-13-5-3-4-12(9-13)18(19,20)21/h3-9,11,23H,1-2H3,(H,22,24)/t11-/m0/s1