Chem
J-GLOBAL ID：200907014480083807   Nikkaji number：J516.911I

(Z)-11-[2-(5,6-Dimethyl-1H-benzimidazol-1-yl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid

(Z)-11-[2-(5,6-ジメチル-1H-ベンゾイミダゾール-1-イル)エチリデン]-6,11-ジヒドロジベンゾ[b,e]オキセピン-2-カルボン酸
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： C26H22N2O3
Molecular formula furigana： C26-H22-N2-O3
Molecular weight： 410.473
InChI： InChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b21-9-
InChI key： WZXFXUCKNJCHJG-NKVSQWTQSA-N
SMILES： Cc1cc2ncn(C/C=C\3/c4ccccc4COc4ccc(cc34)C(=O)O)c2cc1C
Systematic name  (3)：
  • (Z)-11-[2-(5,6-ジメチル-1H-ベンゾイミダゾール-1-イル)エチリデン]-6,11-ジヒドロジベンゾ[b,e]オキセピン-2-カルボン酸
  • (2Z)-2-[2-(5,6-ジメチル-1H-1,3-ベンゾジアゾール-1-イル)エチリデン]-9-オキサトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-5-カルボン酸
  • (2Z)-2-[2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)ethylidene]-9-oxatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylic acid
Other name (1)：
  • (Z)-11-[2-(5,6-Dimethyl-1H-benzimidazol-1-yl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
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