Chem
J-GLOBAL ID：200907036330760367   Nikkaji number：J1.716.327B

2-[1-[3-Phenyl-5-hexyl-6-(diethylcarbamoyl)-2-pyridinyl]ethyl]malonic acid diethyl ester

2-[1-[3-フェニル-5-ヘキシル-6-(ジエチルカルバモイル)-2-ピリジニル]エチル]マロン酸ジエチル
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： C31H44N2O5
Molecular formula furigana： C31-H44-N2-O5
Molecular weight： 524.702
InChI： InChI=1S/C31H44N2O5/c1-7-12-13-15-20-24-21-25(23-18-16-14-17-19-23)27(32-28(24)29(34)33(8-2)9-3)22(6)26(30(35)37-10-4)31(36)38-11-5/h14,16-19,21-22,26H,7-13,15,20H2,1-6H3
InChI key： JLUSHXHCSZSUKL-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(c2ccccc2)c(nc1C(=O)N(CC)CC)C(C)C(C(=O)OCC)C(=O)OCC
Systematic name  (3)：
  • 2-[1-[3-フェニル-5-ヘキシル-6-(ジエチルカルバモイル)-2-ピリジニル]エチル]マロン酸ジエチル
  • 1,3-ジエチル 2-{1-[6-(ジエチルカルバモイル)-5-ヘキシル-3-フェニルピリジン-2-イル]エチル}プロパンジオアート
  • 1,3-diethyl 2-{1-[6-(diethylcarbamoyl)-5-hexyl-3-phenylpyridin-2-yl]ethyl}propanedioate
Other name (1)：
  • 2-[1-[3-Phenyl-5-hexyl-6-(diethylcarbamoyl)-2-pyridinyl]ethyl]malonic acid diethyl ester
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