Chem
J-GLOBAL ID：200907033512119854   Nikkaji number：J2.617.467H

4-[[2,4-Dimethyl-1-(dihydroxyboryl)-1H-imidazole-5-yl]-3-methyl-5-[2-[4-(1,4,7,10-tetraoxa-13-azacyclotetradecane-13-yl)phenyl]ethenyl]-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-メチル-5-[2-[4-(1,4,7,10-テトラオキサ-13-アザシクロテトラデカン-13-イル)フェニル]エテニル]-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： C36H43BN4O8
Molecular formula furigana： C36-H43-B-N4-O8
Molecular weight： 670.570
InChI： InChI=1S/C36H43BN4O8/c1-25-23-31(12-5-28-6-13-32(14-7-28)40-15-16-46-17-18-47-19-20-48-21-22-49-24-40)39-34(25)33(29-8-10-30(11-9-29)36(42)45-4)35-26(2)38-27(3)41(35)37(43)44/h5-14,23,43-44H,15-22,24H2,1-4H3
InChI key： JPHHAEOPOAOEQE-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(cc1)C(=C1N=C(C=Cc2ccc(cc2)N2CCOCCOCCOCCOC2)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-メチル-5-[2-[4-(1,4,7,10-テトラオキサ-13-アザシクロテトラデカン-13-イル)フェニル]エテニル]-2H-ピロール-2-イリデンメチル]安息香酸メチル
  • (5-{[4-(メトキシカルボニル)フェニル](3-メチル-5-{2-[4-(1,6,9,12-テトラオキサ-3-アザシクロテトラデカン-3-イル)フェニル]エテニル}-2H-ピロール-2-イリデン)メチル}-2,4-ジメチル-1H-イミダゾール-1-イル)ボロン酸
  • (5-{[4-(methoxycarbonyl)phenyl](3-methyl-5-{2-[4-(1,6,9,12-tetraoxa-3-azacyclotetradecan-3-yl)phenyl]ethenyl}-2H-pyrrol-2-ylidene)methyl}-2,4-dimethyl-1H-imidazol-1-yl)boronic acid
Other name (1)：
  • 4-[[2,4-Dimethyl-1-(dihydroxyboryl)-1H-imidazole-5-yl]-3-methyl-5-[2-[4-(1,4,7,10-tetraoxa-13-azacyclotetradecane-13-yl)phenyl]ethenyl]-2H-pyrrole-2-ylidenemethyl]benzoic acid methyl ester
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