Chem
J-GLOBAL ID：200907010511763539   Nikkaji number：J771.878K

5-[1-[2-Oxo-2-(methylphenethylamino)ethyl]-5-(benzyloxy)-1H-indol-3-yl]-2,4-pentadienoic acid

5-[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-イル]-2,4-ペンタジエン酸
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： C31H30N2O4
Molecular formula furigana： C31-H30-N2-O4
Molecular weight： 494.591
InChI： InChI=1S/C31H30N2O4/c1-32(19-18-24-10-4-2-5-11-24)30(34)22-33-21-26(14-8-9-15-31(35)36)28-20-27(16-17-29(28)33)37-23-25-12-6-3-7-13-25/h2-17,20-21H,18-19,22-23H2,1H3,(H,35,36)
InChI key： DQGCBONEVONMSD-UHFFFAOYSA-N
SMILES： CN(CCc1ccccc1)C(=O)Cn1cc(C=CC=CC(=O)O)c2cc(OCc3ccccc3)ccc12
Systematic name  (3)：
  • 5-[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-イル]-2,4-ペンタジエン酸
  • 5-[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]ペンタ-2,4-ジエン酸
  • 5-[5-(benzyloxy)-1-{[methyl(2-phenylethyl)carbamoyl]methyl}-1H-indol-3-yl]penta-2,4-dienoic acid
Other name (1)：
  • 5-[1-[2-Oxo-2-(methylphenethylamino)ethyl]-5-(benzyloxy)-1H-indol-3-yl]-2,4-pentadienoic acid
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