HCID22568984

Ethyl4-[4-(1-benzyloxycyclopropyl)-3-methyl-phenylethynyl]-benzoate

ethyl 4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoate

C28H26O3410.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(C#Cc2ccc(C3(OCc4ccccc4)CC3)c(C)c2)cc1
InChIKey: RJJCSKFEQHTXCD-UHFFFAOYSA-N
分子式: C28H26O3
平均分子量: 410.5 g/mol
单同位素质量: 410.18819469

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 9
重原子: 31
形式电荷: 0
复杂度: 652

ALIASES

名称与别名

共 5 条

SCHEMBL5736923RJJCSKFEQHTXCD-UHFFFAOYSA-NEthyl4-[4-(1-benzyloxycyclopropyl)-3-methyl-phenylethynyl]-benzoateEthyl 4-[4-(1-benzyloxycyclopropyl)-3-methyl-phenvlethynyl]-benzoateEthyl 4-[4-(1-benzyloxycyclopropyl)-3-methyl-phenylethynyl]-benzoate

REACTIONS

参与反应

40 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06359135B1

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06359135B1

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