HCID18424327

Ethyl 3-carboxy-1,4-dimethyl-5-(p-toluoyl)-pyrrole-2-acetate

2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid

C19H21NO5343.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)Cc1c(C(=O)O)c(C)c(C(=O)c2ccc(C)cc2)n1C
InChIKey: GNNUZWRIYLKQRD-UHFFFAOYSA-N
分子式: C19H21NO5
平均分子量: 343.4 g/mol
单同位素质量: 343.14197277

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 85.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 7
重原子: 25
形式电荷: 0
复杂度: 512

ALIASES

名称与别名

共 6 条

SCHEMBL7682518GNNUZWRIYLKQRD-UHFFFAOYSA-Nethyl 3-carboxy-1,4-dimethyl-5-(p-toluoyl)-pyrrole-2-acetateEthyl 3-carboxy-1,4,-dimethyl-5-(rho-toluoyl)-pyrrole-2-acetateethyl 3-carboxy-1,4-dimethyl-5 -(p-toluoyl)-pyrrole-2-acetateethyl 3-carboxy-1,4-dimethyl-5-(rho-toluoyl)-pyrrole-2-acetate

REACTIONS