(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[2-(trifluoromethyl)anilino]methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butyrate Formula: C13H14F3N2O3- MolecularWeight: 303.25707

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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@@H](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)/p-1/t10-/m0/s1