Chem
J-GLOBAL ID：200907013602143940   Nikkaji number：J2.643.147F

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

[(1α,5S,2Z)-5-メチル-6α-(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： C21H27NO4
Molecular formula furigana： C21-H27-N-O4
Molecular weight： 357.450
InChI： InChI=1S/C21H27NO4/c1-4-26-19(23)12-16-10-11-21(2)17(20(24)25-3)13-18(16)22(21)14-15-8-6-5-7-9-15/h5-9,12,17-18H,4,10-11,13-14H2,1-3H3/b16-12-/t17-,18-,21-/m0/s1
InChI key： IBQHGFVBVMBQOE-PUFOAPQSSA-N
SMILES： CCOC(=O)/C=C\1/CC[C@@]2(C)[C@@H](C[C@@H]1N2Cc1ccccc1)C(=O)OC
Systematic name  (3)：
  • [(1α,5S,2Z)-5-メチル-6α-(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,2Z,5S,6R)-8-ベンジル-2-(2-エトキシ-2-オキソエチリデン)-5-メチル-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,2Z,5S,6R)-8-benzyl-2-(2-ethoxy-2-oxoethylidene)-5-methyl-8-azabicyclo[3.2.1]octane-6-carboxylate
Other name (1)：
  • [(1α,5S,2Z)-5-Methyl-6α-(methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester
Thsaurus map：
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