
 MLS000035729

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    4.4060    8.6097    0.6140 N   0  0  0  0  0
    3.0386    8.4994    0.0693 C   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000035729

>  <PubChem CID>
648630

>  <Formula>
C20H22FNO3

>  <Molecular Weight>
343.398000

>  <IUPAC Name>
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3)F

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C20H22FNO3/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22/h2-8,13,17H,9-12,14H2,1H3

>  <InChI Key>
AINAOBMDRLIACD-UHFFFAOYSA-N

