Chem
J-GLOBAL ID:200907049445384606   Nikkaji number:J1.081.048E

2,2-Dimethyl-3-[(1S,7S,8R)-2-oxo-9-benzyl-5-oxa-9-azatricyclo[5.2.1.04,8]decane-6α-yl]propanoic acid methyl ester

2,2-ジメチル-3-[(1S,7S,8R)-2-オキソ-9-ベンジル-5-オキサ-9-アザトリシクロ[5.2.1.04,8]デカン-6α-イル]プロパン酸メチル
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: C21H27NO4
Molecular formula furigana: C21-H27-N-O4
Molecular weight: 357.450
InChI: InChI=1S/C21H27NO4/c1-21(2,20(24)25-3)11-18-14-9-15-16(23)10-17(26-18)19(14)22(15)12-13-7-5-4-6-8-13/h4-8,14-15,17-19H,9-12H2,1-3H3/t14-,15+,17?,18-,19-/m1/s1
InChI key: NISMFFBYUKKPRB-PEMOZJJGSA-N
SMILES: COC(=O)C(C)(C)C[C@H]1OC2CC(=O)[C@@H]3C[C@H]1[C@H]2N3Cc1ccccc1
Systematic name  (3):
  • 2,2-ジメチル-3-[(1S,7S,8R)-2-オキソ-9-ベンジル-5-オキサ-9-アザトリシクロ[5.2.1.04,8]デカン-6α-イル]プロパン酸メチル
  • メチル 3-[(1S,6R,7S,8R)-9-ベンジル-2-オキソ-5-オキサ-9-アザトリシクロ[5.2.1.04,8]デカン-6-イル]-2,2-ジメチルプロパノアート
  • methyl 3-[(1S,6R,7S,8R)-9-benzyl-2-oxo-5-oxa-9-azatricyclo[5.2.1.04,8]decan-6-yl]-2,2-dimethylpropanoate
Other name (1):
  • 2,2-Dimethyl-3-[(1S,7S,8R)-2-oxo-9-benzyl-5-oxa-9-azatricyclo[5.2.1.04,8]decane-6α-yl]propanoic acid methyl ester
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