Chem
J-GLOBAL ID：200907035660043266   Nikkaji number：J771.880B

1-[2-Oxo-2-(methylphenethylamino)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]-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： C29H28N2O4
Molecular formula furigana： C29-H28-N2-O4
Molecular weight： 468.553
InChI： InChI=1S/C29H28N2O4/c1-30(17-16-22-8-4-2-5-9-22)28(32)20-31-19-24(12-15-29(33)34)26-18-25(13-14-27(26)31)35-21-23-10-6-3-7-11-23/h2-15,18-19H,16-17,20-21H2,1H3,(H,33,34)
InChI key： YNNNITGBSYQFHJ-UHFFFAOYSA-N
SMILES： CN(CCc1ccccc1)C(=O)Cn1cc(C=CC(=O)O)c2cc(OCc3ccccc3)ccc12
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
  • 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-エン酸
  • 3-[5-(benzyloxy)-1-{[methyl(2-phenylethyl)carbamoyl]methyl}-1H-indol-3-yl]prop-2-enoic acid
Other name (1)：
  • 1-[2-Oxo-2-(methylphenethylamino)ethyl]-5-(benzyloxy)-1H-indole-3-propenoic acid
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