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  • 1-[4-[4-(6-methoxy-2-phenyl-3,,4-dihydronaphthalen-1-yl)phenyl]butyl]
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    1-[4-[4-(6-methoxy-2-phenyl-3,,4-dihydronaphthalen-1-yl)phenyl]butyl]

    [ Properties Computed from Structure]
    Molecular Weight437.6157 [g/mol]
    Molecular FormulaC31H35NO
    XLogP8
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count8
    Exact Mass437.271865
    MonoIsotopic Mass437.271865
    Topological Polar Surface Area12.5
    Heavy Atom Count33
    Formal Charge0
    Complexity621
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-[4-[4-(6-methoxy-2-phenyl-3,
    4-dihydronaphthalen-1-yl)phenyl]butyl]pyrrolidine
    Canonical SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)CCCCN5CCCC5
    InChI: InChI=1/C31H35NO/c1-33-28-17-19-30-27(23-28)16-18-29(25-10-3-2-4-11-25)
    31(30)26-14-12-24(13-15-26)9-5-6-20-32-21-7-8-22-32/h2-4,10-15,17,19,
    23H,5-9,16,18,20-22H2,1H3

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