
 CHEMBL1774887

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.1273    0.0664    0.7768 C   0  0  0  0  0
    1.5758    0.3202    2.1913 C   0  0  0  0  0
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    0.9610   -2.0598    2.8784 C   0  0  0  0  0
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   -7.0952   -4.3188    0.5119 O   0  0  0  0  0
   -7.2196   -6.5093    0.9232 O   0  0  0  0  0
    1.8725   -0.5356    0.2481 H   0  0  0  0  0
    0.9948    1.0061    0.2290 H   0  0  0  0  0
    0.1603   -0.4456    0.7576 H   0  0  0  0  0
    2.7719    1.1642    5.7972 H   0  0  0  0  0
    3.0222    2.8276    4.0027 H   0  0  0  0  0
    2.2524    2.3253    1.7208 H   0  0  0  0  0
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    0.2387   -9.9565    0.7632 H   0  0  0  0  0
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   -8.1443   -6.2568    0.7194 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  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
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  4  8  1  0  0  0
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  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1774887

>  <PubChem CID>
54584878

>  <Formula>
C26H22O3

>  <Molecular Weight>
382.459000

>  <IUPAC Name>
7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)COC2=CC3=CC(=CC(=C3C=C2)C4=CC=CC=C4)C(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)COC2=CC3=CC(=CC(=C3C=C2)C4=CC=CC=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)16-29-22-11-12-23-20(14-22)13-21(26(27)28)15-24(23)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,28)

>  <InChI Key>
HIVWZRSQGPEXRC-UHFFFAOYSA-N

