Chem
J-GLOBAL ID:200907040602643087   Nikkaji number:J1.094.140G

Tropine-2-(4-chloro-phenoxy)-butanoate

トロピン-2-(4-クロロ-フェノキシ)-ブタノアート
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: C18H24ClNO3
Molecular formula furigana: C18-H24-CL-N-O3
Molecular weight: 337.840
InChI: InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3/t13-,14+,16?,17?
InChI key: WTPAXDRULIZRDJ-CBHXASLJSA-N
SMILES: CCC(Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C
Systematic name  (4):
  • 2-(4-クロロフェノキシ)ブタン酸[(1β,5β)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3α-イル]
  • (1β,5β)-トロパン-3α-オール2-(p-クロロフェノキシ)ブチラート
  • (1R,5S)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3-イル 2-(4-クロロフェノキシ)ブタノアート
  • (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-(4-chlorophenoxy)butanoate
Other name (4):
  • 2-(4-Chlorophenoxy)butanoic acid [(1β,5β)-8-methyl-8-azabicyclo[3.2.1]octane-3α-yl] ester
  • (1β,5β)-Tropane-3α-ol 2-(p-chlorophenoxy)butyrate
  • トロピン-2-(4-クロロ-フェノキシ)-ブタノアート
  • Tropine-2-(4-chloro-phenoxy)-butanoate
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