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    Chemistry

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    Also known as: 1418144-65-6, Schembl15156580, (z)-(ethyl n-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}ethanecarboximidate), Ac4186, Cs-0056823
    Molecular Formula
    C18H24F3NO2
    Molecular Weight
    343.4  g/mol
    InChI Key
    WOUZBNWNCNNUOH-LPYMAVHISA-N
    CAS 1418144-65-6
    1 2D Structure

    CAS 1418144-65-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (1E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
    2.1.2 InChI
    InChI=1S/C18H24F3NO2/c1-3-23-13(2)22-24-12-14-9-10-16(15-7-5-4-6-8-15)17(11-14)18(19,20)21/h9-11,15H,3-8,12H2,1-2H3/b22-13+
    2.1.3 InChI Key
    WOUZBNWNCNNUOH-LPYMAVHISA-N
    2.1.4 Canonical SMILES
    CCOC(=NOCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)C
    2.1.5 Isomeric SMILES
    CCO/C(=N/OCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)/C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1418144-65-6

    2. Schembl15156580

    3. (z)-(ethyl N-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}ethanecarboximidate)

    4. Ac4186

    5. Cs-0056823

    2.3 Create Date
    2013-09-09
    3 Chemical and Physical Properties
    Molecular Weight 343.4 g/mol
    Molecular Formula C18H24F3NO2
    XLogP36
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass343.17591349 g/mol
    Monoisotopic Mass343.17591349 g/mol
    Topological Polar Surface Area30.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity406
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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