Chem
J-GLOBAL ID：200907025429141381   Nikkaji number：J1.736.688B

1-[4-(Benzyloxy)benzyl]-6-(benzyloxy)-7-methoxyisoquinoline

1-[4-(ベンジルオキシ)ベンジル]-6-(ベンジルオキシ)-7-メトキシイソキノリン
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： C31H27NO3
Molecular formula furigana： C31-H27-N-O3
Molecular weight： 461.561
InChI： InChI=1S/C31H27NO3/c1-33-30-20-28-26(19-31(30)35-22-25-10-6-3-7-11-25)16-17-32-29(28)18-23-12-14-27(15-13-23)34-21-24-8-4-2-5-9-24/h2-17,19-20H,18,21-22H2,1H3
InChI key： FJOHVFACZZAKFK-UHFFFAOYSA-N
SMILES： COc1cc2c(Cc3ccc(OCc4ccccc4)cc3)nccc2cc1OCc1ccccc1
Systematic name  (3)：
  • 1-[4-(ベンジルオキシ)ベンジル]-6-(ベンジルオキシ)-7-メトキシイソキノリン
  • 6-(ベンジルオキシ)-1-{[4-(ベンジルオキシ)フェニル]メチル}-7-メトキシイソキノリン
  • 6-(benzyloxy)-1-{[4-(benzyloxy)phenyl]methyl}-7-methoxyisoquinoline
Other name (1)：
  • 1-[4-(Benzyloxy)benzyl]-6-(benzyloxy)-7-methoxyisoquinoline
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