Chem
J-GLOBAL ID：200907048047235378   Nikkaji number：J2.770.455G

O-Acetylcypholophine

O-アセチルシホロフィン
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： C20H28N2O4
Molecular formula furigana： C20-H28-N2-O4
Molecular weight： 360.454
InChI： InChI=1S/C20H28N2O4/c1-14-17(22-20(21-14)7-5-6-12-26-15(2)23)10-8-16-9-11-18(24-3)19(13-16)25-4/h9,11,13H,5-8,10,12H2,1-4H3,(H,21,22)
InChI key： KKAYZKDSAIGIJC-UHFFFAOYSA-N
SMILES： COc1ccc(CCc2[nH]c(CCCCOC(=O)C)nc2C)cc1OC
Systematic name  (3)：
  • 5-[2-(3,4-ジメトキシフェニル)エチル]-4-メチル-1H-イミダゾール-2-(1-ブタノール)アセタート
  • 4-{5-[2-(3,4-ジメトキシフェニル)エチル]-4-メチル-1H-イミダゾール-2-イル}ブチル アセタート
  • 4-{5-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1H-imidazol-2-yl}butyl acetate
Other name (3)：
  • 5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-methyl-1H-imidazole-2-(1-butanol)acetate
  • O-Acetylcypholophine
  • O-アセチルシホロフィン
CAS registry number： 26482-11-1
KEGG COMPOUND： C10564
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