Chem
J-GLOBAL ID：200907077317807638   Nikkaji number：J2.643.146H

[(1α,5α,Z)-6α,7α-Bis(methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester

[(1α,5α,Z)-6α,7α-ビス(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： C22H27NO6
Molecular formula furigana： C22-H27-N-O6
Molecular weight： 401.459
InChI： InChI=1S/C22H27NO6/c1-4-29-17(24)12-15-10-11-16-18(21(25)27-2)19(22(26)28-3)20(15)23(16)13-14-8-6-5-7-9-14/h5-9,12,16,18-20H,4,10-11,13H2,1-3H3/b15-12-/t16-,18-,19-,20+/m0/s1
InChI key： HDZQESHNMRYZCS-XSCGTTSLSA-N
SMILES： CCOC(=O)/C=C\1/CC[C@H]2[C@@H]([C@@H]([C@@H]1N2Cc1ccccc1)C(=O)OC)C(=O)OC
Systematic name  (3)：
  • [(1α,5α,Z)-6α,7α-ビス(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
  • 6,7-ジメチル (1S,2Z,5S,6R,7S)-8-ベンジル-2-(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-6,7-ジカルボキシラート
  • 6,7-dimethyl (1S,2Z,5S,6R,7S)-8-benzyl-2-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-6,7-dicarboxylate
Other name (1)：
  • [(1α,5α,Z)-6α,7α-Bis(methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester
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