3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[2-(trifluoromethyl)anilino]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid Traditional Name: 3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butyric acid Formula: C13H15F3N2O3 MolecularWeight: 304.26501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C13H15F3N2O3/c1-7(2)10(11(19)20)18-12(21)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,10H,1-2H3,(H,19,20)(H2,17,18,21)