[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H20F3NO4/c1-13(2)11-19(27)25-15-9-7-14(8-10-15)18(26)12-29-20(28)16-5-3-4-6-17(16)21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H,25,27)