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  • [Synonyms]
    CCRIS 1008
    BRN 3107053
    1,1-Diphenyl-2-butynyl cyclohexylcarbamate
    1,1-Diphenyl-2-butynyl-N-cyclohexylcarbamate
    LS-56521
    Cyclohexanecarbamic acid, 1,1-diphenyl-2-butynyl ester
    20930-10-3

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight347.4501 [g/mol]
    Molecular FormulaC23H25NO2
    XLogP6.1
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count6
    Tautomer Count2
    Exact Mass347.188529
    MonoIsotopic Mass347.188529
    Topological Polar Surface Area38.3
    Heavy Atom Count26
    Formal Charge0
    Complexity493
    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: 1,1-di(phenyl)but-2-ynyl N-cyclohexylcarbamate
    Canonical SMILES: CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)NC3CCCCC3
    InChI: InChI=1/C23H25NO2/c1-2-18-23(19-12-6-3-7-13-19,
    20-14-8-4-9-15-20)26-22(25)24-21-16-10-5-11-17-21/h3-4,6-9,12-15,21H,5,
    10-11,16-17H2,1H3,(H,24,25)/f/h24H



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