Chem
J-GLOBAL ID：200907074671268699   Nikkaji number：J1.788.160D

4-[1-(tert-Butoxycarbonyl)-1H-indole-2-yl]benzoic acid methyl ester

4-[1-(tert-ブトキシカルボニル)-1H-インドール-2-イル]安息香酸メチル
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： C21H21NO4
Molecular formula furigana： C21-H21-N-O4
Molecular weight： 351.402
InChI： InChI=1S/C21H21NO4/c1-21(2,3)26-20(24)22-17-8-6-5-7-16(17)13-18(22)14-9-11-15(12-10-14)19(23)25-4/h5-13H,1-4H3
InChI key： QXHFWGYKXJWBOE-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(cc1)c1cc2ccccc2n1C(=O)OC(C)(C)C
Systematic name  (4)：
  • 2-[4-(メトキシカルボニル)フェニル]-1H-インドール-1-カルボン酸tert-ブチル
  • 4-[1-(tert-ブトキシカルボニル)-1H-インドール-2-イル]安息香酸メチル
  • tert-ブチル 2-[4-(メトキシカルボニル)フェニル]-1H-インドール-1-カルボキシラート
  • tert-butyl 2-[4-(methoxycarbonyl)phenyl]-1H-indole-1-carboxylate
Other name (2)：
  • 2-[4-(Methoxycarbonyl)phenyl]-1H-indole-1-carboxylic acid tert-butyl ester
  • 4-[1-(tert-Butoxycarbonyl)-1H-indole-2-yl]benzoic acid methyl ester
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