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  • [Synonyms]
    LS-26927
    N-(2-Hydroxyethyl)-N-((3-methyl-2-norbornyl)methyl)benzamide benzoate (ester) hydrochloride
    Benzamide, N-(2-hydroxyethyl)-N-((3-methyl-2-norbornyl)methyl)-, benzoate (ester), hydrochloride
    36398-94-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight391.50266 [g/mol]
    Molecular FormulaC25H29NO3
    XLogP6.4
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count8
    Exact Mass391.214744
    MonoIsotopic Mass391.214744
    Topological Polar Surface Area46.6
    Heavy Atom Count29
    Formal Charge0
    Complexity564
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count4
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-[benzoyl-[(5-methyl-6-bicyclo[2.2.1]heptanyl)methyl]amino]ethyl
    benzoate
    Canonical SMILES: CC1C2CCC(C2)C1CN(CCOC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
    InChI: InChI=1/C25H29NO3/c1-18-21-12-13-22(16-21)23(18)17-26(24(27)19-8-4-2-5-
    9-19)14-15-29-25(28)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3



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