HCID53870309

tert-butyl (3RS,4RS)-4-[4-[2-(4-chloro-benzoyloxy)-ethoxy]-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

tert-butyl 4-[4-[2-(4-chlorobenzoyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

C36H38ClNO6616.1 g/mol

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IDENTITY

结构与身份

标准 SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(OCCOC(=O)c3ccc(Cl)cc3)cc2)C(OCc2ccc3ccccc3c2)C1
InChIKey: HCQMMDKRIBSQDS-UHFFFAOYSA-N
分子式: C36H38ClNO6
平均分子量: 616.1 g/mol
单同位素质量: 615.2387656

COMPUTED

结构计算性质

已同步

XLogP: 7.8
极性表面积: 74.3 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 12
重原子: 44
形式电荷: 0
复杂度: 909

ALIASES

名称与别名

共 3 条

HCQMMDKRIBSQDS-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-[4-[2-(4-chloro-benzoyloxy)-ethoxy]-phenyl]-3-(naphthalen-2-yl methoxy)-piperidine-1-carboxylatetert-butyl (3RS,4RS)-4-[4-[2-(4-chloro-benzoyloxy)-ethoxy]-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

REACTIONS