methyl (2S)-4-(2,4-dimethylphenyl)-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-(2,4-dimethylphenyl)-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-(2,4-dimethylphenyl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate CAS Name: (2S)-4-(2,4-dimethylphenyl)-4-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-(2,4-dimethylphenyl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate Traditional Name: (2S)-4-(2,4-dimethylphenyl)-4-keto-2-[(2,2,2-trifluoroacetyl)amino]butyric acid methyl ester Formula: C15H16F3NO4 MolecularWeight: 331.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CC(C(=O)OC)NC(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C[C@@H](C(=O)OC)NC(=O)C(F)(F)F)C

InChI

InChI=1S/C15H16F3NO4/c1-8-4-5-10(9(2)6-8)12(20)7-11(13(21)23-3)19-14(22)15(16,17)18/h4-6,11H,7H2,1-3H3,(H,19,22)/t11-/m0/s1