Chem
J-GLOBAL ID：200907061830084583   Nikkaji number：J2.628.749I

1-(1,3-Benzodioxole-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

1-(1,3-ベンゾジオキソール-5-イル)-2-(クロロアセチル)-2,3,4,9-テトラヒドロ-1H-ピリド[3,4-b]インドール-3-カルボン酸
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： C21H17ClN2O5
Molecular formula furigana： C21-H17-CL-N2-O5
Molecular weight： 412.830
InChI： InChI=1S/C21H17ClN2O5/c22-9-18(25)24-15(21(26)27)8-13-12-3-1-2-4-14(12)23-19(13)20(24)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10H2,(H,26,27)
InChI key： QVBMZPPLZDFVMO-UHFFFAOYSA-N
SMILES： OC(=O)C1Cc2c([nH]c3ccccc23)C(N1C(=O)CCl)c1ccc2OCOc2c1
Systematic name  (3)：
  • 1-(1,3-ベンゾジオキソール-5-イル)-2-(クロロアセチル)-2,3,4,9-テトラヒドロ-1H-ピリド[3,4-b]インドール-3-カルボン酸
  • 1-(2H-1,3-ベンゾジオキソール-5-イル)-2-(2-クロロアセチル)-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-3-カルボン酸
  • 1-(2H-1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Other name (1)：
  • 1-(1,3-Benzodioxole-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
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