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    IUPAC Name: prop-2-enyl 2-(benzoylamino)-3-(4-hydroxyphenyl)prop-2-eno

  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight323.34258 [g/mol]
    Molecular FormulaC19H17NO4
    XLogP3.7
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count7
    Tautomer Count6
    Exact Mass323.115758
    MonoIsotopic Mass323.115758
    Topological Polar Surface Area75.6
    Heavy Atom Count24
    Formal Charge0
    Complexity472
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: prop-2-enyl 2-(benzoylamino)-3-(4-hydroxyphenyl)prop-2-enoate
    Canonical SMILES: C=CCOC(=O)C(=CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2
    InChI: InChI=1/C19H17NO4/c1-2-12-24-19(23)17(13-14-8-10-16(21)11-9-14)20-18(22)
    15-6-4-3-5-7-15/h2-11,13,21H,1,12H2,(H,20,22)/f/h20H

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