
 CHEMBL3288359

 57 59  0  0  0  0  0  0  0  0999 V2000
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    6.9765    4.4946   -1.3529 N   0  0  0  0  0
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    4.2463    9.2595   -3.9978 C   0  0  0  0  0
    7.5953   13.1248   -3.5647 C   0  0  0  0  0
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    8.1115   -1.4472   -0.2181 H   0  0  0  0  0
    7.0879   -0.7046    1.0416 H   0  0  0  0  0
    8.7131    0.8965    0.8087 H   0  0  0  0  0
    9.5067    1.3091   -2.1419 H   0  0  0  0  0
    9.7733   -0.2125   -1.2900 H   0  0  0  0  0
   12.7310    1.7377   -1.0447 H   0  0  0  0  0
    6.9312    2.5641   -2.0704 H   0  0  0  0  0
    8.4839    5.5460    1.4864 H   0  0  0  0  0
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    5.6767   12.3018   -1.2724 H   0  0  0  0  0
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    4.7235   12.6083   -7.1805 H   0  0  0  0  0
    3.7278   10.5383   -6.2987 H   0  0  0  0  0
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    4.8869    8.3959   -4.2005 H   0  0  0  0  0
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    8.1242   13.7960   -4.2507 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3288359

>  <PubChem CID>
90644301

>  <Formula>
C25H27NO4

>  <Molecular Weight>
405.494000

>  <IUPAC Name>
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-3-ethoxypropanoic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(CC(=O)O)C1=CN=C(C=C1)OCC2=CC=CC(=C2)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
CCOC(CC(=O)O)C1=CN=C(C=C1)OCC2=CC=CC(=C2)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C25H27NO4/c1-4-29-22(14-24(27)28)21-11-12-23(26-15-21)30-16-19-9-6-10-20(13-19)25-17(2)7-5-8-18(25)3/h5-13,15,22H,4,14,16H2,1-3H3,(H,27,28)

>  <InChI Key>
LVYLRAFWECKTKT-UHFFFAOYSA-N

