Chem
J-GLOBAL ID：200907016163261840   Nikkaji number：J1.692.733C

Benzoic acid [(1S,3S,6R,10S)-9-[(Z)-(3-chloro-4-iodophenyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-yl]methyl ester

安息香酸[(1S,3S,6R,10S)-9-[(Z)-(3-クロロ-4-ヨードフェニル)メチレン]-7-アザトリシクロ[4.3.1.03,7]デカン-10-イル]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： C24H23ClINO2
Molecular formula furigana： C24-H23-CL-I-N-O2
Molecular weight： 519.809
InChI： InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+/t18-,19+,20-,23+/m0/s1
InChI key： IUTKTWYPUQJGQR-CYQUTFDLSA-N
SMILES： Clc1cc(/C=C/2\CN3[C@H]4CC[C@@H]3[C@@H](COC(=O)c3ccccc3)[C@@H]2C4)ccc1I
Systematic name  (3)：
  • 安息香酸[(1S,3S,6R,10S)-9-[(Z)-(3-クロロ-4-ヨードフェニル)メチレン]-7-アザトリシクロ[4.3.1.03,7]デカン-10-イル]メチル
  • [(1S,2S,3R,6S,9Z)-9-[(3-クロロ-4-ヨードフェニル)メチリデン]-7-アザトリシクロ[4.3.1.03,7]デカン-2-イル]メチル ベンゾアート
  • [(1S,2S,3R,6S,9Z)-9-[(3-chloro-4-iodophenyl)methylidene]-7-azatricyclo[4.3.1.03,7]decan-2-yl]methyl benzoate
Other name (1)：
  • Benzoic acid [(1S,3S,6R,10S)-9-[(Z)-(3-chloro-4-iodophenyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-yl]methyl ester
Thsaurus map：
Thesaurus Map

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