methane;methyl 2-[7-hydroxy-2-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
基本情報
- 標準SMILES
C.COC(=O)C(OC(C)(C)C)c1c(-c2ccc3c(c2C)CCCO3)c2ccc(O)cc2c(=O)n1C- InChIKey
YZUBOXZEAMIXPB-UHFFFAOYSA-N- 分子式
- C28H35NO6
- 平均分子量
- 481.6 g/mol
- 単同位体質量
- 481.24643784
名称と識別子
- 優先名称
- methane;methyl 2-[7-hydroxy-2-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
- IUPAC
- methane;methyl 2-[7-hydroxy-2-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
名称と別名
YZUBOXZEAMIXPB-UHFFFAOYSA-Ntert-Butoxy-[7-hydroxy-2-methyl-4-(5-methyl-chroman-6-yl)-1-oxo-1,2-dihydro-isoquinolin-3-yl]-acetic acid methyl ester; compound with methane
データベース識別子
- PubChem CID
- 86700720
物性
構造計算による物性
- 極性表面積
- 85.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 816
関連反応
1 件
化合物ノート
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