Chem
J-GLOBAL ID：200907037319217577   Nikkaji number：J771.885C

1-[2-Oxo-2-(methylphenethylamino)ethyl]-α-ethyl-5-(benzyloxy)-1H-indole-3-propenoic acid

1-[2-オキソ-2-(メチルフェネチルアミノ)エチル]-α-エチル-5-(ベンジルオキシ)-1H-インドール-3-プロペン酸
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： C31H32N2O4
Molecular formula furigana： C31-H32-N2-O4
Molecular weight： 496.607
InChI： InChI=1S/C31H32N2O4/c1-3-25(31(35)36)18-26-20-33(21-30(34)32(2)17-16-23-10-6-4-7-11-23)29-15-14-27(19-28(26)29)37-22-24-12-8-5-9-13-24/h4-15,18-20H,3,16-17,21-22H2,1-2H3,(H,35,36)
InChI key： MYJPHTSXARMVLO-UHFFFAOYSA-N
SMILES： CCC(=Cc1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12)C(=O)O
Systematic name  (3)：
  • 1-[2-オキソ-2-(メチルフェネチルアミノ)エチル]-α-エチル-5-(ベンジルオキシ)-1H-インドール-3-プロペン酸
  • 2-{[5-(ベンジルオキシ)-1-{[メチル(2-フェニルエチル)カルバモイル]メチル}-1H-インドール-3-イル]メチリデン}ブタン酸
  • 2-{[5-(benzyloxy)-1-{[methyl(2-phenylethyl)carbamoyl]methyl}-1H-indol-3-yl]methylidene}butanoic acid
Other name (1)：
  • 1-[2-Oxo-2-(methylphenethylamino)ethyl]-α-ethyl-5-(benzyloxy)-1H-indole-3-propenoic acid
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