
 CHEMBL1093341

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.3011   -0.9872    0.4725 C   0  0  0  0  0
    1.8331   -0.0248   -0.6089 C   0  0  0  0  0
    1.9059    1.3821   -0.1888 N   0  0  0  0  0
    0.6745    2.1010   -0.1685 C   0  0  0  0  0
    0.5022    3.3175   -0.8318 C   0  0  0  0  0
   -0.6563    4.0211   -0.8640 N   0  0  0  0  0
   -1.7010    3.4891   -0.1979 C   0  0  0  0  0
   -1.6458    2.2809    0.4773 C   0  0  0  0  0
   -0.4434    1.5750    0.4828 C   0  0  0  0  0
   -2.9144    4.1464   -0.1759 O   0  0  0  0  0
   -2.8582    5.4332   -0.7832 C   0  0  0  0  0
    3.1906    1.9709   -0.1316 C   0  0  0  0  0
    4.1660    1.3609   -0.5777 O   0  0  0  0  0
    3.3848    3.2604    0.5251 C   0  0  0  0  0
    4.5373    4.0225    0.6394 C   0  0  0  0  0
    4.1957    5.2006    1.3533 C   0  0  0  0  0
    2.8470    5.0746    1.6523 C   0  0  0  0  0
    2.3712    3.8873    1.1960 O   0  0  0  0  0
    2.1024    6.0400    2.3200 C   0  0  0  0  0
    2.7929    7.1946    2.7057 C   0  0  0  0  0
    4.1601    7.3591    2.4464 C   0  0  0  0  0
    4.8775    6.3614    1.7691 C   0  0  0  0  0
    4.6789    8.5438    2.8985 O   0  0  0  0  0
    6.0733    8.7509    2.7110 C   0  0  0  0  0
    2.1851   -2.0206    0.1305 H   0  0  0  0  0
    1.7212   -0.8614    1.3919 H   0  0  0  0  0
    3.3562   -0.8323    0.7177 H   0  0  0  0  0
    0.8126   -0.2864   -0.9141 H   0  0  0  0  0
    2.4571   -0.1508   -1.5021 H   0  0  0  0  0
    1.3081    3.7726   -1.4007 H   0  0  0  0  0
   -2.5188    1.9022    0.9971 H   0  0  0  0  0
   -0.3839    0.6400    1.0319 H   0  0  0  0  0
   -3.8566    5.8761   -0.7166 H   0  0  0  0  0
   -2.5963    5.3647   -1.8447 H   0  0  0  0  0
   -2.1651    6.0915   -0.2475 H   0  0  0  0  0
    5.5031    3.7540    0.2339 H   0  0  0  0  0
    1.0453    5.9067    2.5149 H   0  0  0  0  0
    2.2515    7.9854    3.2217 H   0  0  0  0  0
    5.9326    6.4571    1.5440 H   0  0  0  0  0
    6.3259    9.7279    3.1341 H   0  0  0  0  0
    6.3300    8.7732    1.6468 H   0  0  0  0  0
    6.6591    7.9949    3.2443 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3 12  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 18  1  0  0  0
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 16 17  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1093341

>  <PubChem CID>
46883885

>  <Formula>
C18H18N2O4

>  <Molecular Weight>
326.352000

>  <IUPAC Name>
N-ethyl-5-methoxy-N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(C1=CN=C(C=C1)OC)C(=O)C2=CC3=C(O2)C=CC(=C3)OC

>  <Isomeric SMILES>
CCN(C1=CN=C(C=C1)OC)C(=O)C2=CC3=C(O2)C=CC(=C3)OC

>  <InChI Std. ID>
InChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3

>  <InChI Key>
ATBXVWAUNHCVGT-UHFFFAOYSA-N

