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ethyl 2-(6'-cyano-5'-oxo-3',5'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-indolizine]-7'-yl)butanoate | 58610-66-5

ethyl 2-(6'-cyano-5'-oxo-3',5'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-indolizine]-7'-yl)butanoate结构式图片|58610-66-5结构式图片
ethyl 2-(6'-cyano-5'-oxo-3',5'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-indolizine]-7'-yl)butanoate
Ethyl 2-(6'-cyano-5'-oxospiro[1,3-dioxolane-2,1'-2,3-dihydroindolizine]-7'-yl)butanoate
58610-66-5
C17H20N2O5
332.351104736328
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:ethyl 2-(6'-cyano-5'-oxo-3',5'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-indolizine]-7'-yl)butanoate结构式
名称和标识符
InChIKey GTFGMFHOVANJCE-UHFFFAOYSA-N
Inchi 1S/C17H20N2O5/c1-3-11(16(21)22-4-2)12-9-14-17(23-7-8-24-17)5-6-19(14)15(20)13(12)10-18/h9,11H,3-8H2,1-2H3
SMILES O1CCOC21C1=CC(=C(C#N)C(N1CC2)=O)C(C(=O)OCC)CC
别名信息
- 中文别名 -
- 英文别名 -
  • NSC629281
  • MLS003389096
  • SMR002048792
  • ethyl 2-(6'-cyano-5'-oxo-spiro[1,3-dioxolane-2,1'-2,3-dihydroindolizine]-7'-yl)butanoate
  • 2-[1,1-[Ethylenebis(oxy)]-5-oxo-6-cyano-1,2,3,5-tetrahydroindolizine-7-yl]butyric acid ethyl ester
  • Ethyl 2-(6-cyano-5-oxo-2,3-dihydro-5H-spiro[indolizine-1,2'-[1,3]dioxolan]-7-yl)butanoate
  • Spiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetic acid, 6'-cyano-.alpha.-ethyl-2',3'-dihydro-5'-oxo-, ethyl ester
  • Ethyl 2-(6'-cyano-5'-oxospiro[1,3-dioxolane-2,1'-2,3-dihydroindolizine]-7'-yl)butanoate
物化性质
计算特性
氢键供体数量 0
氢键受体数量 6
可旋转化学键数量 5
重原子数量 24
复杂度 678
疏水参数计算参考值(XlogP) 0.3
拓扑分子极性表面积 88.9
ethyl 2-(6'-cyano-5'-oxo-3',5'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-indolizine]-7'-yl)butanoate推荐生产厂家
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