Chem
J-GLOBAL ID：200907078374256377   Nikkaji number：J1.692.738D

Benzoic acid [(1S,3S,6R,10S)-9-[(Z)-(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)-(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： C24H24INO2
Molecular formula furigana： C24-H24-I-N-O2
Molecular weight： 485.365
InChI： InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+/t20-,21+,22-,23+/m0/s1
InChI key： MELFXABSQOCUHS-DYWKDGJZSA-N
SMILES： Ic1ccc(/C=C/2\CN3[C@H]4CC[C@@H]3[C@@H](COC(=O)c3ccccc3)[C@@H]2C4)cc1
Systematic name  (3)：
  • 安息香酸[(1S,3S,6R,10S)-9-[(Z)-(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-[(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-[(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)-(4-iodophenyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-yl]methyl ester
Thsaurus map：
Thesaurus Map

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