
 CHEMBL1915859

 57 60  0  0  0  0  0  0  0  0999 V2000
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   -0.4904   -3.5366   -2.8046 Cl  0  0  0  0  0
    4.8745   -2.6497   -0.3221 C   0  0  0  0  0
    5.1654    2.2261   -1.0575 O   0  0  0  0  0
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    8.8882    4.8012   -0.5839 C   0  0  0  0  0
    8.6011    3.4658   -0.6462 O   0  0  0  0  0
    0.4876   -0.1097    1.0373 H   0  0  0  0  0
    0.2349    0.1057   -0.7198 H   0  0  0  0  0
    0.6204    1.4886    0.3162 H   0  0  0  0  0
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    6.0645   -0.3279   -0.9262 H   0  0  0  0  0
    1.0495   -2.2728   -1.3491 H   0  0  0  0  0
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   -2.8360   -6.1664    0.5033 H   0  0  0  0  0
    0.2868   -3.6273    2.0294 H   0  0  0  0  0
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    7.0080    1.4573   -0.3460 H   0  0  0  0  0
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   11.2217    7.1277    0.1196 H   0  0  0  0  0
   10.9438    4.6475    0.0211 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
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  2  3  2  0  0  0
  3  4  1  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1915859

>  <PubChem CID>
11465472

>  <Formula>
C26H24ClNO5

>  <Molecular Weight>
465.930000

>  <IUPAC Name>
2-[4-chloro-3-[[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]-2,6-dimethylbenzoyl]amino]phenyl]acetic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC(=C1C(=O)NC2=C(C=CC(=C2)CC(=O)O)Cl)C)OCC3CC4=CC=CC=C4O3

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C(=O)NC2=C(C=CC(=C2)CC(=O)O)Cl)C)OC[C@@H]3CC4=CC=CC=C4O3

>  <InChI Std. ID>
InChI=1S/C26H24ClNO5/c1-15-9-19(32-14-20-13-18-5-3-4-6-23(18)33-20)10-16(2)25(15)26(31)28-22-11-17(12-24(29)30)7-8-21(22)27/h3-11,20H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t20-/m0/s1

>  <InChI Key>
KYIOSDHREIOMNK-FQEVSTJZSA-N

