
 CHEMBL3288358

 53 55  0  0  0  0  0  0  0  0999 V2000
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    0.4250   -6.2250    3.5749 N   0  0  0  0  0
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    5.6760    1.1973    0.1972 H   0  0  0  0  0
    4.0146    2.9735    0.5637 H   0  0  0  0  0
    1.6113    2.4508    0.5451 H   0  0  0  0  0
    5.0170   -2.0931   -1.1028 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  4  8  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 20 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3288358

>  <PubChem CID>
90644300

>  <Formula>
C24H25NO3

>  <Molecular Weight>
375.468000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C(C=C3)C(C)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C(C=C3)C(C)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)24(16)20-9-5-8-19(13-20)15-28-22-11-10-21(14-25-22)18(3)12-23(26)27/h4-11,13-14,18H,12,15H2,1-3H3,(H,26,27)

>  <InChI Key>
JWCPDXBJZQNJFN-UHFFFAOYSA-N

