
 CHEMBL1774890

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.5734    1.2113   -1.4612 C   0  0  0  0  0
    1.6252    1.9854   -0.1693 C   0  0  0  0  0
    1.0641    1.5260    1.0494 C   0  0  0  0  0
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    0.4564    2.0021    3.4910 C   0  0  0  0  0
    0.4055    0.1583    1.1368 C   0  0  0  0  0
   -0.9802    0.2744    0.8120 O   0  0  0  0  0
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   -3.0774   -0.7077    1.1511 C   0  0  0  0  0
   -3.9529   -1.8075    1.2409 C   0  0  0  0  0
   -5.3135   -1.6206    1.5245 C   0  0  0  0  0
   -6.1862   -2.7116    1.5985 C   0  0  0  0  0
   -5.7059   -4.0061    1.3787 C   0  0  0  0  0
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   -1.2211   -2.1639    0.6974 C   0  0  0  0  0
   -3.8130   -5.4656    0.8977 O   0  0  0  0  0
   -4.4475   -6.5993    1.4973 C   0  0  0  0  0
   -5.1589   -7.4341    0.4592 C   0  0  0  0  0
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   -7.1782   -8.4709   -0.4086 C   0  0  0  0  0
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   -4.4388   -8.0000   -0.6039 C   0  0  0  0  0
   -7.6109   -2.4523    1.9149 C   0  0  0  0  0
   -8.1183   -1.3581    2.0746 O   0  0  0  0  0
   -8.3324   -3.5803    2.0460 O   0  0  0  0  0
    0.8757    0.3722   -1.4382 H   0  0  0  0  0
    2.5697    0.8284   -1.7052 H   0  0  0  0  0
    1.2376    1.8666   -2.2730 H   0  0  0  0  0
    1.8310    4.2611    2.9797 H   0  0  0  0  0
    2.8893    4.9811    0.8809 H   0  0  0  0  0
    2.7476    3.5706   -1.1305 H   0  0  0  0  0
    0.8427    1.0525    3.8717 H   0  0  0  0  0
   -0.6277    1.9360    3.3555 H   0  0  0  0  0
    0.6470    2.7545    4.2644 H   0  0  0  0  0
    0.5201   -0.2609    2.1429 H   0  0  0  0  0
    0.9250   -0.5290    0.4614 H   0  0  0  0  0
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   -5.7023   -0.6157    1.6869 H   0  0  0  0  0
   -6.4071   -4.8327    1.3887 H   0  0  0  0  0
   -1.6658   -4.2585    0.6022 H   0  0  0  0  0
   -0.1801   -2.3511    0.4593 H   0  0  0  0  0
   -5.0970   -6.3367    2.3411 H   0  0  0  0  0
   -3.6503   -7.2153    1.9322 H   0  0  0  0  0
   -7.1230   -7.2608    1.3614 H   0  0  0  0  0
   -8.2474   -8.6524   -0.3346 H   0  0  0  0  0
   -6.9508   -9.6454   -2.2003 H   0  0  0  0  0
   -4.5114   -9.2295   -2.3727 H   0  0  0  0  0
   -3.3692   -7.8213   -0.6933 H   0  0  0  0  0
   -9.2322   -3.2571    2.2631 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  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 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 11 20  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 18  1  0  0  0
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 14 44  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
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 17 21  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
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 20 47  1  0  0  0
 21 22  1  0  0  0
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 22 48  1  0  0  0
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 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
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 29 31  1  0  0  0
 29 30  2  0  0  0
 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1774890

>  <PubChem CID>
54583936

>  <Formula>
C27H24O4

>  <Molecular Weight>
412.485000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)COC2=CC3=CC(=CC(=C3C=C2)OCC4=CC=CC=C4)C(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)COC2=CC3=CC(=CC(=C3C=C2)OCC4=CC=CC=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C27H24O4/c1-18-7-6-8-19(2)25(18)17-30-23-11-12-24-21(14-23)13-22(27(28)29)15-26(24)31-16-20-9-4-3-5-10-20/h3-15H,16-17H2,1-2H3,(H,28,29)

>  <InChI Key>
UBSJOEUGZCQLLT-UHFFFAOYSA-N

