Chem
J-GLOBAL ID：200907061269556268   Nikkaji number：J2.140.504C

4′-[4-[12-(1-Pyrrolyl)dodecyloxy]benzoyloxy]biphenyl-4-carboxylic acid 1-methylheptyl ester

4′-[4-[12-(1-ピロリル)ドデシルオキシ]ベンゾイルオキシ]ビフェニル-4-カルボン酸1-メチルヘプチル
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： C44H57NO5
Molecular formula furigana： C44-H57-N-O5
Molecular weight： 679.942
InChI： InChI=1S/C44H57NO5/c1-3-4-5-14-19-36(2)49-43(46)39-22-20-37(21-23-39)38-24-30-42(31-25-38)50-44(47)40-26-28-41(29-27-40)48-35-18-13-11-9-7-6-8-10-12-15-32-45-33-16-17-34-45/h16-17,20-31,33-34,36H,3-15,18-19,32,35H2,1-2H3
InChI key： CAKMYFUYWCFBMN-UHFFFAOYSA-N
SMILES： CCCCCCC(C)OC(=O)c1ccc(cc1)c1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCn3cccc3)cc2)cc1
Systematic name  (3)：
  • 4′-[4-[12-(1-ピロリル)ドデシルオキシ]ベンゾイルオキシ]ビフェニル-4-カルボン酸1-メチルヘプチル
  • オクタン-2-イル 4'-(4-{[12-(1H-ピロール-1-イル)ドデシル]オキシ}ベンゾイルオキシ)-[1,1'-ビフェニル]-4-カルボキシラート
  • octan-2-yl 4'-(4-{[12-(1H-pyrrol-1-yl)dodecyl]oxy}benzoyloxy)-[1,1'-biphenyl]-4-carboxylate
Other name (1)：
  • 4′-[4-[12-(1-Pyrrolyl)dodecyloxy]benzoyloxy]biphenyl-4-carboxylic acid 1-methylheptyl ester
Thsaurus map：
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