Chem
J-GLOBAL ID：200907087536161110   Nikkaji number：J1.378.296B

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

安息香酸(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： C29H33NO4
Molecular formula furigana： C29-H33-N-O4
Molecular weight： 459.586
InChI： InChI=1S/C29H33NO4/c1-30-21-27(34-29(31)24-11-4-3-5-12-24)20-25(30)17-18-33-28-14-7-6-10-23(28)16-15-22-9-8-13-26(19-22)32-2/h3-14,19,25,27H,15-18,20-21H2,1-2H3/t25-,27-/m1/s1
InChI key： QONJFXNGJCMNGZ-XNMGPUDCSA-N
SMILES： COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@H](CN2C)OC(=O)c2ccccc2)c1
Systematic name  (3)：
  • 安息香酸(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 ベンゾアート
  • (3R,5R)-5-(2-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}ethyl)-1-methylpyrrolidin-3-yl benzoate
Other name (1)：
  • Benzoic acid (2R)-1-methyl-2α-[2-[2-(3-methoxyphenethyl)phenoxy]ethyl]pyrrolidine-4β-yl ester
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