4-[5-Chloro-2-(methyl-o-tolyl-carbamoyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-butyric acid tert-butyl ester (HCID 68602277)

基本情報

標準SMILES: Cc1ccccc1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1OCCCC(=O)OC(C)(C)C
InChIKey: CDJSHLSXVMISFI-UHFFFAOYSA-N
分子式: C29H39BClNO6
平均分子量: 543.9 g/mol
単同位体質量: 543.2558958

名称と識別子

優先名称: 4-[5-Chloro-2-(methyl-o-tolyl-carbamoyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-butyric acid tert-butyl ester
IUPAC: tert-butyl 4-[5-chloro-2-[methyl-(2-methylphenyl)carbamoyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate

名称と別名

SCHEMBL3336379CDJSHLSXVMISFI-UHFFFAOYSA-N4-[5-Chloro-2-(methyl-o-tolyl-carbamoyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-butyric acid tert-butyl ester