Chem
J-GLOBAL ID：200907072364343052   Nikkaji number：J2.057.471B

(2E,4E,7S)-2-Bromo-7-hydroxy-7-[(1R)-2α-(4-methoxybenzyloxymethyl)cyclohexane-1β-yl]-2,4-heptadienenitrile

(2E,4E,7S)-2-ブロモ-7-ヒドロキシ-7-[(1R)-2α-(4-メトキシベンジルオキシメチル)シクロヘキサン-1β-イル]-2,4-ヘプタジエンニトリル
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： C22H28BrNO3
Molecular formula furigana： C22-H28-BR-N-O3
Molecular weight： 434.374
InChI： InChI=1S/C22H28BrNO3/c1-26-20-12-10-17(11-13-20)15-27-16-18-6-2-4-8-21(18)22(25)9-5-3-7-19(23)14-24/h3,5,7,10-13,18,21-22,25H,2,4,6,8-9,15-16H2,1H3/b5-3+,19-7+/t18-,21+,22-/m0/s1
InChI key： LIDCMKCJWLKKLE-DREXLSSWSA-N
SMILES： COc1ccc(COC[C@@H]2CCCC[C@H]2[C@@H](O)C/C=C/C=C(/Br)\C#N)cc1
Systematic name  (3)：
  • (2E,4E,7S)-2-ブロモ-7-ヒドロキシ-7-[(1R)-2α-(4-メトキシベンジルオキシメチル)シクロヘキサン-1β-イル]-2,4-ヘプタジエンニトリル
  • (2E,4E,7S)-2-ブロモ-7-ヒドロキシ-7-[(1R,2R)-2-{[(4-メトキシフェニル)メトキシ]メチル}シクロヘキシル]ヘプタ-2,4-ジエンニトリル
  • (2E,4E,7S)-2-bromo-7-hydroxy-7-[(1R,2R)-2-{[(4-methoxyphenyl)methoxy]methyl}cyclohexyl]hepta-2,4-dienenitrile
Other name (1)：
  • (2E,4E,7S)-2-Bromo-7-hydroxy-7-[(1R)-2α-(4-methoxybenzyloxymethyl)cyclohexane-1β-yl]-2,4-heptadienenitrile
Thsaurus map：
Thesaurus Map

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