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    BUILDING BLOCK

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    Chemistry

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    Also known as: 201856-53-3, (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone, Schembl1134975, Amy16038, Akos016005641, Ac-23879
    Molecular Formula
    C20H21NO4
    Molecular Weight
    339.4  g/mol
    InChI Key
    XSYLUBKWRZCOQP-CXRLMVSZSA-N
    CAS 201856-53-3
    1 2D Structure

    CAS 201856-53-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
    2.1.2 InChI
    InChI=1S/C20H21NO4/c1-3-24-14(2)25-18-17(15-10-6-4-7-11-15)21(20(18)23)19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1
    2.1.3 InChI Key
    XSYLUBKWRZCOQP-CXRLMVSZSA-N
    2.1.4 Canonical SMILES
    CCOC(C)OC1C(N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 201856-53-3

    2. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone

    3. Schembl1134975

    4. Amy16038

    5. Akos016005641

    6. Ac-23879

    7. 856b533

    8. A814313

    9. J-501259

    10. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-azetidin-2-one

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 339.4 g/mol
    Molecular Formula C20H21NO4
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass339.14705815 g/mol
    Monoisotopic Mass339.14705815 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity468
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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