Chem
J-GLOBAL ID：200907099378566904   Nikkaji number：J1.013.771C

4′-[7-[[(3aR)-1,3-Dioxo-1,3,3aα,4,7,7aα-hexahydro-4β,7β-epoxy-2H-isoindole]-2-yl]heptyloxy]biphenyl-4-carbonitrile

4′-[7-[[(3aR)-1,3-ジオキソ-1,3,3aα,4,7,7aα-ヘキサヒドロ-4β,7β-エポキシ-2H-イソインドール]-2-イル]ヘプチルオキシ]ビフェニル-4-カルボニトリル
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： C28H28N2O4
Molecular formula furigana： C28-H28-N2-O4
Molecular weight： 456.542
InChI： InChI=1S/C28H28N2O4/c29-18-19-6-8-20(9-7-19)21-10-12-22(13-11-21)33-17-5-3-1-2-4-16-30-27(31)25-23-14-15-24(34-23)26(25)28(30)32/h6-15,23-26H,1-5,16-17H2/t23-,24+,25-,26+
InChI key： OWTUMBZQWGNTQU-POYMRFPPSA-N
SMILES： O=C1[C@H]2[C@H]3O[C@H](C=C3)[C@H]2C(=O)N1CCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
Systematic name  (3)：
  • 4′-[7-[[(3aR)-1,3-ジオキソ-1,3,3aα,4,7,7aα-ヘキサヒドロ-4β,7β-エポキシ-2H-イソインドール]-2-イル]ヘプチルオキシ]ビフェニル-4-カルボニトリル
  • 4'-({7-[(1R,2S,6R,7S)-3,5-ジオキソ-10-オキサ-4-アザトリシクロ[5.2.1.02,6]デカ-8-エン-4-イル]ヘプチル}オキシ)-[1,1'-ビフェニル]-4-カルボニトリル
  • 4'-({7-[(1R,2S,6R,7S)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]heptyl}oxy)-[1,1'-biphenyl]-4-carbonitrile
Other name (1)：
  • 4′-[7-[[(3aR)-1,3-Dioxo-1,3,3aα,4,7,7aα-hexahydro-4β,7β-epoxy-2H-isoindole]-2-yl]heptyloxy]biphenyl-4-carbonitrile
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