HCID51033656

3-[2-Oxo-3-[1-phenyl-1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-2,3-dihydro-indol-1-ylmethyl]-benzoic acid methyl ester

methyl 3-[[(3E)-2-oxo-3-[phenyl-(3,4,5-trimethoxyphenyl)methylidene]indol-1-yl]methyl]benzoate

C33H29NO6535.6 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3cc(OC)c(OC)c(OC)c3)c3ccccc32)c1
InChIKey: NUCAYXHVFOJXGH-QVIHXGFCSA-N
分子式: C33H29NO6
平均分子量: 535.6 g/mol
单同位素质量: 535.19948764

COMPUTED

结构计算性质

已同步

XLogP: 6.2
极性表面积: 74.3 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 9
重原子: 40
形式电荷: 0
复杂度: 899

ALIASES

名称与别名

共 4 条

3-[2-Oxo-3-[1-phenyl-1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-2,3-dihydro-indol-1-ylmethyl]-benzoic acid methyl ester3-{2-Oxo-3-[1-phenyl-1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-2,3-dihydro-indol-1-ylmethyl}-benzoic acid methyl esterSCHEMBL1444397NUCAYXHVFOJXGH-QVIHXGFCSA-N

REACTIONS

参与反应

1 条

uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08778973B2

查看