[[3-(trifluoromethyl)phenyl]amino] 2-(3-methylbutanoylamino)-3-oxidanylidene-butanoate

Systemtic Name: [[3-(trifluoromethyl)phenyl]amino] 2-(3-methylbutanoylamino)-3-oxidanylidene-butanoate Openeye Name: [3-(trifluoromethyl)anilino] 2-(3-methylbutanoylamino)-3-oxo-butanoate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-3-oxobutanoic acid [3-(trifluoromethyl)anilino] ester IUPAC Name: [3-(trifluoromethyl)anilino] 2-(3-methylbutanoylamino)-3-oxobutanoate Traditional Name: 2-(isovalerylamino)-3-keto-butyric acid [3-(trifluoromethyl)anilino] ester Formula: C16H19F3N2O4 MolecularWeight: 360.32827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C(=O)C)C(=O)ONC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC(C(=O)C)C(=O)ONC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O4/c1-9(2)7-13(23)20-14(10(3)22)15(24)25-21-12-6-4-5-11(8-12)16(17,18)19/h4-6,8-9,14,21H,7H2,1-3H3,(H,20,23)