Chem
J-GLOBAL ID：200907055968835296   Nikkaji number：J2.643.141G

[(1α,5α,E)-7α-(Methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester

[(1α,5α,E)-7α-(メトキシカルボニル)-8-ベンジル-8-アザビシクロ[3.2.1]オクタン-2-イリデン]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： C20H25NO4
Molecular formula furigana： C20-H25-N-O4
Molecular weight： 343.423
InChI： InChI=1S/C20H25NO4/c1-3-25-18(22)11-15-9-10-16-12-17(20(23)24-2)19(15)21(16)13-14-7-5-4-6-8-14/h4-8,11,16-17,19H,3,9-10,12-13H2,1-2H3/b15-11+/t16-,17-,19+/m0/s1
InChI key： GAEJREOMFFXMMD-GANVUTFMSA-N
SMILES： CCOC(=O)/C=C/1\CC[C@H]2C[C@@H]([C@@H]1N2Cc1ccccc1)C(=O)OC
Systematic name  (3)：
  • [(1α,5α,E)-7α-(メトキシカルボニル)-8-ベンジル-8-アザビシクロ[3.2.1]オクタン-2-イリデン]酢酸エチル
  • メチル (1S,4E,5S,6S)-8-ベンジル-4-(2-エトキシ-2-オキソエチリデン)-8-アザビシクロ[3.2.1]オクタン-6-カルボキシラート
  • methyl (1S,4E,5S,6S)-8-benzyl-4-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-6-carboxylate
Other name (1)：
  • [(1α,5α,E)-7α-(Methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester
Thsaurus map：
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