Chem
J-GLOBAL ID:200907048756079320   Nikkaji number:J1.800.221C

2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-[N-(hydroxymethyl)-3,4-dimethoxyphenethylamino]valeronitrile

2-(3,4-ジメトキシフェニル)-2-イソプロピル-5-[N-(ヒドロキシメチル)-3,4-ジメトキシフェネチルアミノ]バレロニトリル
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: C27H38N2O5
Molecular formula furigana: C27-H38-N2-O5
Molecular weight: 470.610
InChI: InChI=1S/C27H38N2O5/c1-20(2)27(18-28,22-9-11-24(32-4)26(17-22)34-6)13-7-14-29(19-30)15-12-21-8-10-23(31-3)25(16-21)33-5/h8-11,16-17,20,30H,7,12-15,19H2,1-6H3
InChI key: BTNGLXDRLOQQIW-UHFFFAOYSA-N
SMILES: COc1ccc(CCN(CO)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Systematic name  (3):
  • 2-(3,4-ジメトキシフェニル)-2-イソプロピル-5-[N-(ヒドロキシメチル)-3,4-ジメトキシフェネチルアミノ]バレロニトリル
  • 2-(3,4-ジメトキシフェニル)-5-{[2-(3,4-ジメトキシフェニル)エチル](ヒドロキシメチル)アミノ}-2-(プロパン-2-イル)ペンタンニトリル
  • 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](hydroxymethyl)amino}-2-(propan-2-yl)pentanenitrile
Other name (1):
  • 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-[N-(hydroxymethyl)-3,4-dimethoxyphenethylamino]valeronitrile
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