
 CHEMBL2392157

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.7362    0.9180   -0.2466 C   0  0  0  0  0
    1.5753    2.1741   -0.8962 O   0  0  0  0  0
    2.5384    3.1115   -0.6444 C   0  0  0  0  0
    2.6074    4.1490   -1.5786 C   0  0  0  0  0
    3.5531    5.1690   -1.4446 C   0  0  0  0  0
    4.4332    5.1585   -0.3578 C   0  0  0  0  0
    4.3398    4.1424    0.6005 C   0  0  0  0  0
    3.3982    3.1180    0.4545 C   0  0  0  0  0
    5.4558    6.2238   -0.1711 C   0  0  0  0  0
    5.7158    6.5885    0.9697 O   0  0  0  0  0
    6.0613    6.6571   -1.3351 N   0  0  0  0  0
    7.0497    7.6616   -1.4629 C   0  0  0  0  0
    7.4133    8.5207   -0.4212 C   0  0  0  0  0
    8.4057    9.4898   -0.6074 C   0  0  0  0  0
    9.0493    9.6075   -1.8367 C   0  0  0  0  0
    8.6864    8.7585   -2.8834 C   0  0  0  0  0
    7.6879    7.7999   -2.7077 C   0  0  0  0  0
    7.2981    6.9543   -3.7224 O   0  0  0  0  0
    7.9278    7.0604   -4.9510 C   0  0  0  0  0
    8.9066    7.9294   -5.2344 C   0  0  0  0  0
    9.3588    8.8551   -4.1878 C   0  0  0  0  0
   10.2528    9.6612   -4.4060 O   0  0  0  0  0
    7.4941    6.1544   -6.0401 C   0  0  0  0  0
    7.9489    6.0982   -7.1681 O   0  0  0  0  0
    6.4857    5.3523   -5.6524 O   0  0  0  0  0
    0.9782    0.2372   -0.6459 H   0  0  0  0  0
    1.5695    1.0041    0.8317 H   0  0  0  0  0
    2.7197    0.4861   -0.4616 H   0  0  0  0  0
    1.9162    4.1600   -2.4183 H   0  0  0  0  0
    3.5685    5.9732   -2.1748 H   0  0  0  0  0
    5.0016    4.1466    1.4650 H   0  0  0  0  0
    3.3501    2.3537    1.2233 H   0  0  0  0  0
    5.8718    6.1349   -2.1848 H   0  0  0  0  0
    6.9334    8.4684    0.5523 H   0  0  0  0  0
    8.6748   10.1501    0.2144 H   0  0  0  0  0
    9.8267   10.3561   -1.9754 H   0  0  0  0  0
    9.3932    7.9996   -6.2001 H   0  0  0  0  0
    6.2936    4.8135   -6.4489 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392157

>  <PubChem CID>
71735036

>  <Formula>
C18H13NO6

>  <Molecular Weight>
339.303000

>  <IUPAC Name>
8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H13NO6/c1-24-11-7-5-10(6-8-11)17(21)19-13-4-2-3-12-14(20)9-15(18(22)23)25-16(12)13/h2-9H,1H3,(H,19,21)(H,22,23)

>  <InChI Key>
OVNIVCKVZJXFDK-UHFFFAOYSA-N

