methyl (2S)-3-(methylamino)-2-[4-(trifluoromethyl)phenyl]carbonyl-but-3-enoate

Systemtic Name: methyl (2S)-3-(methylamino)-2-[4-(trifluoromethyl)phenyl]carbonyl-but-3-enoate Openeye Name: methyl (2S)-3-(methylamino)-2-[4-(trifluoromethyl)benzoyl]but-3-enoate CAS Name: (2S)-3-(methylamino)-2-[oxo-[4-(trifluoromethyl)phenyl]methyl]-3-butenoic acid methyl ester IUPAC Name: methyl (2S)-3-(methylamino)-2-[4-(trifluoromethyl)benzoyl]but-3-enoate Traditional Name: (2S)-3-(methylamino)-2-[4-(trifluoromethyl)benzoyl]but-3-enoic acid methyl ester Formula: C14H14F3NO3 MolecularWeight: 301.26107

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C)C(C(=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO3/c1-8(18-2)11(13(20)21-3)12(19)9-4-6-10(7-5-9)14(15,16)17/h4-7,11,18H,1H2,2-3H3/t11-/m0/s1