Chem
J-GLOBAL ID：200907087770116005   Nikkaji number：J2.588.389F

4-[(2S)-1-(4-Methoxybenzyl)-3,3-difluoro-4-oxoazetidine-2β-yl]benzoic acid methyl ester

4-[(2S)-1-(4-メトキシベンジル)-3,3-ジフルオロ-4-オキソアゼチジン-2β-イル]安息香酸メチル
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： C19H17F2NO4
Molecular formula furigana： C19-H17-F2-N-O4
Molecular weight： 361.345
InChI： InChI=1S/C19H17F2NO4/c1-25-15-9-3-12(4-10-15)11-22-16(19(20,21)18(22)24)13-5-7-14(8-6-13)17(23)26-2/h3-10,16H,11H2,1-2H3/t16-/m0/s1
InChI key： IUHYVJYDIXBMJX-INIZCTEOSA-N
SMILES： COC(=O)c1ccc(cc1)[C@@H]1N(Cc2ccc(OC)cc2)C(=O)C1(F)F
Systematic name  (3)：
  • 4-[(2S)-1-(4-メトキシベンジル)-3,3-ジフルオロ-4-オキソアゼチジン-2β-イル]安息香酸メチル
  • メチル 4-[(2S)-3,3-ジフルオロ-1-[(4-メトキシフェニル)メチル]-4-オキソアゼチジン-2-イル]ベンゾアート
  • methyl 4-[(2S)-3,3-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]benzoate
Other name (1)：
  • 4-[(2S)-1-(4-Methoxybenzyl)-3,3-difluoro-4-oxoazetidine-2β-yl]benzoic acid methyl ester
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