
 MLS001179913

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    3.4658   -0.9516   -0.1910 C   0  0  0  0  0
    4.8516   -1.0629   -0.0351 C   0  0  0  0  0
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    3.3666   -3.2849   -0.8038 C   0  0  0  0  0
    2.7235   -2.0609   -0.6025 C   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS001179913

>  <PubChem CID>
2534340

>  <Formula>
C20H16N2O3

>  <Molecular Weight>
332.359000

>  <IUPAC Name>
2-(4-benzoylphenoxy)-N-pyridin-3-ylacetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CN=CC=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H16N2O3/c23-19(22-17-7-4-12-21-13-17)14-25-18-10-8-16(9-11-18)20(24)15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23)

>  <InChI Key>
FNMUQXAXWHYNQS-UHFFFAOYSA-N

