Chem
J-GLOBAL ID：200907017209266733   Nikkaji number：J332.327G

(-)-α-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile

(-)-α-[3-[[2-(3,4-ジメトキシフェニル)エチル](メチル)アミノ]プロピル]-3,4-ジメトキシ-α-(1-メチルエチル)ベンゼンアセトニトリル
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： C27H38N2O4
Molecular formula furigana： C27-H38-N2-O4
Molecular weight： 454.611
InChI： InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
InChI key： SGTNSNPWRIOYBX-UHFFFAOYSA-N
SMILES： COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Systematic name  (1)：
  • (-)-α-[3-[[2-(3,4-ジメトキシフェニル)エチル](メチル)アミノ]プロピル]-3,4-ジメトキシ-α-(1-メチルエチル)ベンゼンアセトニトリル
Other name (1)：
  • (-)-α-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
Regulation number (1)：
  • EINECS2531333
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