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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1C(F)(F)F)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1C(F)(F)F)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22F3NO3/c1-14(2)19(25-18(26)12-15-8-4-3-5-9-15)20(27)28-13-16-10-6-7-11-17(16)21(22,23)24/h3-11,14,19H,12-13H2,1-2H3,(H,25,26)/t19-/m0/s1