Chem
J-GLOBAL ID：200907096646578288   Nikkaji number：J499.739E

3-Methoxy-4-[[6-[(butoxycarbonyl)amino]-2,3-dibromo-1H-indol-1-yl]methyl]benzoic acid

3-メトキシ-4-[[6-[(ブトキシカルボニル)アミノ]-2,3-ジブロモ-1H-インドール-1-イル]メチル]安息香酸
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： C22H22Br2N2O5
Molecular formula furigana： C22-H22-BR2-N2-O5
Molecular weight： 554.235
InChI： InChI=1S/C22H22Br2N2O5/c1-3-4-9-31-22(29)25-15-7-8-16-17(11-15)26(20(24)19(16)23)12-14-6-5-13(21(27)28)10-18(14)30-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,25,29)(H,27,28)
InChI key： LYELDJLSVWUPIY-UHFFFAOYSA-N
SMILES： CCCCOC(=O)Nc1ccc2c(Br)c(Br)n(Cc3ccc(cc3OC)C(=O)O)c2c1
Systematic name  (3)：
  • 3-メトキシ-4-[[6-[(ブトキシカルボニル)アミノ]-2,3-ジブロモ-1H-インドール-1-イル]メチル]安息香酸
  • 4-({2,3-ジブロモ-6-[(ブトキシカルボニル)アミノ]-1H-インドール-1-イル}メチル)-3-メトキシ安息香酸
  • 4-({2,3-dibromo-6-[(butoxycarbonyl)amino]-1H-indol-1-yl}methyl)-3-methoxybenzoic acid
Other name (1)：
  • 3-Methoxy-4-[[6-[(butoxycarbonyl)amino]-2,3-dibromo-1H-indol-1-yl]methyl]benzoic acid
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