Chem
J-GLOBAL ID：200907091055841417   Nikkaji number：J771.891H

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

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