Chem
J-GLOBAL ID：200907032472618295   Nikkaji number：J897.811E

[Benzyl[(1E)-1-phenyl-3-oxo-4,4,4-trifluoro-1-butenyl]amino]acetic acid ethyl ester

[ベンジル[(1E)-1-フェニル-3-オキソ-4,4,4-トリフルオロ-1-ブテニル]アミノ]酢酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H20F3NO3
Molecular formula furigana： C21-H20-F3-N-O3
Molecular weight： 391.390
InChI： InChI=1S/C21H20F3NO3/c1-2-28-20(27)15-25(14-16-9-5-3-6-10-16)18(13-19(26)21(22,23)24)17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3/b18-13+
InChI key： KRACBDZPFYEUGT-QGOAFFKASA-N
SMILES： CCOC(=O)CN(Cc1ccccc1)/C(=C/C(=O)C(F)(F)F)/c1ccccc1
Systematic name  (3)：
  • [ベンジル[(1E)-1-フェニル-3-オキソ-4,4,4-トリフルオロ-1-ブテニル]アミノ]酢酸エチル
  • エチル 2-{ベンジル[(1E)-4,4,4-トリフルオロ-3-オキソ-1-フェニルブタ-1-エン-1-イル]アミノ}アセタート
  • ethyl 2-{benzyl[(1E)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-yl]amino}acetate
Other name (1)：
  • [Benzyl[(1E)-1-phenyl-3-oxo-4,4,4-trifluoro-1-butenyl]amino]acetic acid ethyl ester
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