Chem
J-GLOBAL ID：200907068643367940   Nikkaji number：J2.617.465A

4-[[2,4-Dimethyl-1-(dihydroxyboryl)-1H-imidazole-5-yl]-3,5-dimethyl-2H-pyrrole-2-ylidenemethyl]benzoic acid methyl ester

4-[[2,4-ジメチル-1-(ジヒドロキシボリル)-1H-イミダゾール-5-イル]-3,5-ジメチル-2H-ピロール-2-イリデンメチル]安息香酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H22BN3O4
Molecular formula furigana： C20-H22-B-N3-O4
Molecular weight： 379.220
InChI： InChI=1S/C20H22BN3O4/c1-11-10-12(2)22-18(11)17(15-6-8-16(9-7-15)20(25)28-5)19-13(3)23-14(4)24(19)21(26)27/h6-10,26-27H,1-5H3
InChI key： JDVWATRZJHQVQR-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(cc1)C(=C1N=C(C)C=C1C)c1c(C)nc(C)n1B(O)O
Systematic name  (3)：
  • 4-[[2,4-ジメチル-1-(ジヒドロキシボリル)-1H-イミダゾール-5-イル]-3,5-ジメチル-2H-ピロール-2-イリデンメチル]安息香酸メチル
  • {5-[(3,5-ジメチル-2H-ピロール-2-イリデン)[4-(メトキシカルボニル)フェニル]メチル]-2,4-ジメチル-1H-イミダゾール-1-イル}ボロン酸
  • {5-[(3,5-dimethyl-2H-pyrrol-2-ylidene)[4-(methoxycarbonyl)phenyl]methyl]-2,4-dimethyl-1H-imidazol-1-yl}boronic acid
Other name (1)：
  • 4-[[2,4-Dimethyl-1-(dihydroxyboryl)-1H-imidazole-5-yl]-3,5-dimethyl-2H-pyrrole-2-ylidenemethyl]benzoic acid methyl ester
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