
 CHEMBL1688473

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.1374   -2.2074   -0.2163 C   0  0  0  0  0
    2.6600   -3.2703    0.5398 C   0  0  0  0  0
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    2.9291   -5.7199    1.0752 C   0  0  0  0  0
    2.5194   -5.7239    2.4398 O   0  0  0  0  0
    1.4630   -6.4961    2.8269 C   0  0  0  0  0
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   -0.3647   -6.7919    5.9496 F   0  0  0  0  0
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    0.2419   -1.0090    1.4178 H   0  0  0  0  0
    5.4548    1.0945   -0.4089 H   0  0  0  0  0
    3.9421    2.8348    0.4483 H   0  0  0  0  0
    1.6103    2.2894    1.0106 H   0  0  0  0  0
    4.4816   -2.1294   -1.6627 H   0  0  0  0  0
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    1.0765   -7.6673    1.0334 H   0  0  0  0  0
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   -3.6907  -12.0692    5.4707 H   0  0  0  0  0
  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
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  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
 20 23  1  0  0  0
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 24 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1688473

>  <PubChem CID>
51350138

>  <Formula>
C24H23FO3

>  <Molecular Weight>
378.443000

>  <IUPAC Name>
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2-fluorophenyl]propanoic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C24H23FO3/c1-16-5-3-6-17(2)24(16)20-8-4-7-18(13-20)15-28-21-11-9-19(22(25)14-21)10-12-23(26)27/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,27)

>  <InChI Key>
GOWIOGNRWWZDKB-UHFFFAOYSA-N

