HCID68501214

Tert-butyl 3-[2-(2-hydroxymethylphenoxy)ethoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

tert-butyl 3-[2-[2-(hydroxymethyl)phenoxy]ethoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

C36H47NO8621.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CO)cc1
InChIKey: GWVMMHJOCUGTSJ-UHFFFAOYSA-N
分子式: C36H47NO8
平均分子量: 621.8 g/mol
单同位素质量: 621.33016746

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 95.9 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 17
重原子: 45
形式电荷: 0
复杂度: 828

ALIASES

名称与别名

共 3 条

SCHEMBL3071752GWVMMHJOCUGTSJ-UHFFFAOYSA-Ntert-butyl 3-[2-(2-hydroxymethylphenoxy)ethoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07842688B2

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uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07842688B2

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790715B2

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790715B2

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