(phenylmethyl) (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(trifluoromethyl)prop-2-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(trifluoromethyl)acryloyl]amino]butyric acid benzyl ester Formula: C16H18F3NO3 MolecularWeight: 329.31423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(=C)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(=C)C(F)(F)F

InChI

InChI=1S/C16H18F3NO3/c1-10(2)13(20-14(21)11(3)16(17,18)19)15(22)23-9-12-7-5-4-6-8-12/h4-8,10,13H,3,9H2,1-2H3,(H,20,21)/t13-/m0/s1