Chem
J-GLOBAL ID：200907090409202364   Nikkaji number：J1.378.298I

Hexanoic acid (2R)-1-methyl-2α-[2-[2-(3-methoxyphenethyl)phenoxy]ethyl]pyrrolidine-4β-yl ester

ヘキサン酸(2R)-1-メチル-2α-[2-[2-(3-メトキシフェネチル)フェノキシ]エチル]ピロリジン-4β-イル
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： C28H39NO4
Molecular formula furigana： C28-H39-N-O4
Molecular weight： 453.623
InChI： InChI=1S/C28H39NO4/c1-4-5-6-14-28(30)33-26-20-24(29(2)21-26)17-18-32-27-13-8-7-11-23(27)16-15-22-10-9-12-25(19-22)31-3/h7-13,19,24,26H,4-6,14-18,20-21H2,1-3H3/t24-,26-/m1/s1
InChI key： QDUJSJKQNVVTTF-AOYPEHQESA-N
SMILES： CCCCCC(=O)O[C@@H]1C[C@@H](CCOc2ccccc2CCc2cccc(OC)c2)N(C)C1
Systematic name  (3)：
  • ヘキサン酸(2R)-1-メチル-2α-[2-[2-(3-メトキシフェネチル)フェノキシ]エチル]ピロリジン-4β-イル
  • (3R,5R)-5-(2-{2-[2-(3-メトキシフェニル)エチル]フェノキシ}エチル)-1-メチルピロリジン-3-イル ヘキサノアート
  • (3R,5R)-5-(2-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}ethyl)-1-methylpyrrolidin-3-yl hexanoate
Other name (1)：
  • Hexanoic acid (2R)-1-methyl-2α-[2-[2-(3-methoxyphenethyl)phenoxy]ethyl]pyrrolidine-4β-yl ester
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