ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetate HCl 分子结构式
HCID12939645

ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetate HCl

ethyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate;hydrochloride

C34H44ClNO4566.2 g/mol

IDENTITY

结构与身份

标准SMILES
CCOC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIKey
YFQLPWHOTLWVEE-UHFFFAOYSA-N
分子式
C34H44ClNO4
平均分子量
566.2 g/mol
单同位素质量
565.2958866

COMPUTED

结构计算性质

已同步
极性表面积
70 Ų
氢键供体
3
氢键受体
5
可旋转键
12
重原子
40
形式电荷
0
复杂度
707

ALIASES

名称与别名

共 3 条
SCHEMBL11365096YFQLPWHOTLWVEE-UHFFFAOYSA-Nethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetate HCl

REACTIONS

参与反应

2
HRID 126829 反应方程式

uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04254129

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HRID 895077 反应方程式

uspto-grants-1981_08 · 10.6084/m9.figshare.5104873.v1 · US04285957

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