HCID58887658

5-{2-[5-Trifluoromethyl-2-(benzyloxy)phenyl]cyclopent-1-enyl}-3-(2-oxo-pyrrolidin-1-yl)-benzoic acid ethyl ester

ethyl 3-(2-oxopyrrolidin-1-yl)-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoate

C32H30F3NO4549.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccccc3)CCC2)cc(N2CCCC2=O)c1
InChIKey: PCEKRLUBXBUATI-UHFFFAOYSA-N
分子式: C32H30F3NO4
平均分子量: 549.6 g/mol
单同位素质量: 549.21269292

COMPUTED

结构计算性质

已同步

XLogP: 6.3
极性表面积: 55.8 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 9
重原子: 40
形式电荷: 0
复杂度: 928

ALIASES

名称与别名

共 3 条

5-{2-[5-trifluoromethyl-2-(benzyloxy)phenyl]cyclopent-1-enyl}-3-(2-oxo-pyrrolidin-1-yl)-benzoic acid ethyl esterSCHEMBL56205425-{2-[5-Trifluoromethyl-2-(Benzyloxy)Phenyl]Cyclopent-1-Enyl}-3-(2-Oxo-Pyrrolidin-1 -yl)-Benzoic Acid Ethyl Ester

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2007_06 · 10.6084/m9.figshare.5104873.v1 · US07232821B2

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