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

Systemtic Name: 2-(3-methylbutanoylamino)-3-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 2-(3-methylbutanoylamino)-3-oxo-2-[3-(trifluoromethyl)anilino]butanoic acid CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-3-oxo-2-[3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 2-(3-methylbutanoylamino)-3-oxo-2-[3-(trifluoromethyl)anilino]butanoic acid Traditional Name: 2-(isovalerylamino)-3-keto-2-[3-(trifluoromethyl)anilino]butyric acid 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)O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC(C(=O)C)(C(=O)O)NC1=CC=CC(=C1)C(F)(F)F

InChI

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