Chem
J-GLOBAL ID：200907026491552548   Nikkaji number：J1.378.302K

R-102444

R-102444
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： C34H51NO4
Molecular formula furigana： C34-H51-N-O4
Molecular weight： 537.785
InChI： InChI=1S/C34H51NO4/c1-4-5-6-7-8-9-10-11-12-20-34(36)39-32-26-30(35(2)27-32)23-24-38-33-19-14-13-17-29(33)22-21-28-16-15-18-31(25-28)37-3/h13-19,25,30,32H,4-12,20-24,26-27H2,1-3H3/t30-,32-/m1/s1
InChI key： ZVCROHONSVCKKH-XLJNKUFUSA-N
SMILES： CCCCCCCCCCCC(=O)O[C@@H]1C[C@@H](CCOc2ccccc2CCc2cccc(OC)c2)N(C)C1
Systematic name  (3)：
  • ラウリン酸(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 ドデカノアート
  • (3R,5R)-5-(2-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}ethyl)-1-methylpyrrolidin-3-yl dodecanoate
Other name (2)：
  • Lauric acid (2R)-1-methyl-2α-[2-[2-(3-methoxyphenethyl)phenoxy]ethyl]pyrrolidine-4β-yl ester
  • R-102444
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