Chem
J-GLOBAL ID：200907038366500801   Nikkaji number：J2.564.526J

[[2β-[4-(Heptyloxy)phenyl]-5α-[4-[[4-(octyloxy)phenoxy]carbonyl]phenyl]-2,5-dimethyl-1-pyrrolidinyl]oxy]radical

[[2β-[4-(ヘプチルオキシ)フェニル]-5α-[4-[[4-(オクチルオキシ)フェノキシ]カルボニル]フェニル]-2,5-ジメチル-1-ピロリジニル]オキシ]ラジカル
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： C40H54NO5
Molecular formula furigana： C40-H54-N-O5
Molecular weight： 628.874
InChI： InChI=1S/C40H54NO5/c1-5-7-9-11-13-15-31-45-36-24-26-37(27-25-36)46-38(42)32-16-18-33(19-17-32)39(3)28-29-40(4,41(39)43)34-20-22-35(23-21-34)44-30-14-12-10-8-6-2/h16-27H,5-15,28-31H2,1-4H3/t39-,40-/m1/s1
InChI key： DGMIRCZSYDFLGE-XRSDMRJBSA-N
SMILES： CCCCCCCCOc1ccc(OC(=O)c2ccc(cc2)[C@@]2(C)CC[C@@](C)(N2[O])c2ccc(OCCCCCCC)cc2)cc1
Systematic name  (3)：
  • [[2β-[4-(ヘプチルオキシ)フェニル]-5α-[4-[[4-(オクチルオキシ)フェノキシ]カルボニル]フェニル]-2,5-ジメチル-1-ピロリジニル]オキシ]ラジカル
  • [(2R,5R)-2-[4-(ヘプチルオキシ)フェニル]-2,5-ジメチル-5-(4-{[4-(オクチルオキシ)フェノキシ]カルボニル}フェニル)ピロリジン-1-イル]オキシダニル
  • [(2R,5R)-2-[4-(heptyloxy)phenyl]-2,5-dimethyl-5-(4-{[4-(octyloxy)phenoxy]carbonyl}phenyl)pyrrolidin-1-yl]oxidanyl
Other name (1)：
  • [[2β-[4-(Heptyloxy)phenyl]-5α-[4-[[4-(octyloxy)phenoxy]carbonyl]phenyl]-2,5-dimethyl-1-pyrrolidinyl]oxy]radical
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