
 CHEMBL2022252

 56 60  0  0  0  0  0  0  0  0999 V2000
    4.0624    1.7412    3.0911 C   0  0  0  0  0
    4.2922    0.9903    1.8035 C   0  0  0  0  0
    3.7306    1.3987    0.5635 C   0  0  0  0  0
    4.0100    0.6264   -0.6214 C   0  0  0  0  0
    3.5450    0.9590   -1.9217 C   0  0  0  0  0
    3.7799    0.1482   -3.0349 C   0  0  0  0  0
    4.5156   -1.0169   -2.8930 C   0  0  0  0  0
    5.0325   -1.3540   -1.6447 C   0  0  0  0  0
    4.7970   -0.5474   -0.5166 C   0  0  0  0  0
    5.3459   -0.9099    0.7158 C   0  0  0  0  0
    5.1125   -0.1452    1.8544 C   0  0  0  0  0
    2.8257    2.5770    0.4927 C   0  0  0  0  0
    1.5011    2.4275    0.0401 C   0  0  0  0  0
    0.6600    3.5321   -0.1659 C   0  0  0  0  0
    1.1115    4.8004    0.2114 C   0  0  0  0  0
    2.4030    4.9661    0.7118 C   0  0  0  0  0
    3.2617    3.8682    0.8224 C   0  0  0  0  0
   -0.6825    3.3387   -0.8272 C   0  0  0  0  0
   -1.6977    3.0598    0.1278 O   0  0  0  0  0
   -2.5080    4.0677    0.5646 C   0  0  0  0  0
   -3.2506    3.7452    1.7036 C   0  0  0  0  0
   -4.0851    4.7024    2.2421 C   0  0  0  0  0
   -4.2138    5.9639    1.6859 C   0  0  0  0  0
   -3.5258    6.2848    0.5291 C   0  0  0  0  0
   -2.6668    5.3297   -0.0293 C   0  0  0  0  0
   -5.1912    6.7584    2.4783 C   0  0  0  0  0
   -5.3201    5.8261    3.6972 C   0  0  0  0  0
   -4.8651    4.5007    3.3487 O   0  0  0  0  0
   -4.7243    8.1465    2.8965 C   0  0  0  0  0
   -4.9656    9.1638    1.8201 C   0  0  0  0  0
   -4.1505    9.5837    1.0179 O   0  0  0  0  0
   -6.2372    9.6087    1.8039 O   0  0  0  0  0
    4.3069    1.1195    3.9599 H   0  0  0  0  0
    3.0134    2.0309    3.2022 H   0  0  0  0  0
    4.7006    2.6293    3.1290 H   0  0  0  0  0
    2.9822    1.8748   -2.0883 H   0  0  0  0  0
    3.3850    0.4335   -4.0061 H   0  0  0  0  0
    4.6971   -1.6575   -3.7515 H   0  0  0  0  0
    5.6221   -2.2642   -1.5558 H   0  0  0  0  0
    5.9674   -1.7987    0.8033 H   0  0  0  0  0
    5.5631   -0.4569    2.7943 H   0  0  0  0  0
    1.1367    1.4314   -0.2113 H   0  0  0  0  0
    0.4685    5.6708    0.1020 H   0  0  0  0  0
    2.7528    5.9558    0.9942 H   0  0  0  0  0
    4.2807    4.0300    1.1661 H   0  0  0  0  0
   -0.6232    2.4610   -1.4836 H   0  0  0  0  0
   -0.9037    4.1628   -1.5114 H   0  0  0  0  0
   -3.1619    2.7682    2.1661 H   0  0  0  0  0
   -3.6418    7.2495    0.0453 H   0  0  0  0  0
   -2.1503    5.6104   -0.9403 H   0  0  0  0  0
   -6.1445    6.7923    1.9348 H   0  0  0  0  0
   -4.7166    6.1665    4.5482 H   0  0  0  0  0
   -6.3611    5.7623    4.0332 H   0  0  0  0  0
   -3.6575    8.1631    3.1505 H   0  0  0  0  0
   -5.2591    8.4865    3.7923 H   0  0  0  0  0
   -6.2521   10.2678    1.0827 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 28  1  0  0  0
 22 23  2  0  0  0
 23 26  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2022252

>  <PubChem CID>
23111791

>  <Formula>
C28H24O4

>  <Molecular Weight>
424.496000

>  <IUPAC Name>
2-[6-[[3-(2-methylnaphthalen-1-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2C=C1)C3=CC(=CC=C3)COC4=CC5=C(C=C4)C(CO5)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2C=C1)C3=CC(=CC=C3)COC4=CC5=C(C=C4)C(CO5)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C28H24O4/c1-18-9-10-20-6-2-3-8-25(20)28(18)21-7-4-5-19(13-21)16-31-23-11-12-24-22(14-27(29)30)17-32-26(24)15-23/h2-13,15,22H,14,16-17H2,1H3,(H,29,30)

>  <InChI Key>
KNSQGETUHCUBIQ-UHFFFAOYSA-N

