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  • [Synonyms]
    Ici 53165
    3-gamma-Dimethylaminopropyl-3-phenylphthalide
    3-(gamma-Dimethylaminopropyl)-3-phenylphthalide
    LS-109398
    Phthalide, 3-(3-dimethylaminopropyl)-3-phenyl-
    37401-68-6

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight295.37554 [g/mol]
    Molecular FormulaC19H21NO2
    XLogP3.9
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count5
    Exact Mass295.157229
    MonoIsotopic Mass295.157229
    Topological Polar Surface Area29.5
    Heavy Atom Count22
    Formal Charge0
    Complexity389
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-(3-dimethylaminopropyl)-3-phenyl-2-benzofuran-1-one
    Canonical SMILES: CN(C)CCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3
    InChI: InChI=1/C19H21NO2/c1-20(2)14-8-13-19(15-9-4-3-5-10-15)17-12-7-6-11-16
    (17)18(21)22-19/h3-7,9-12H,8,13-14H2,1-2H3



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