
 CHEMBL2425822

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.3056    2.5174   -0.7517 C   0  0  0  0  0
    2.6996    1.9984   -0.5538 C   0  0  0  0  0
    2.9388    0.6155   -0.5330 C   0  0  0  0  0
    4.2267    0.0917   -0.3491 C   0  0  0  0  0
    5.2872    0.9880   -0.1369 C   0  0  0  0  0
    5.0482    2.3646   -0.1358 C   0  0  0  0  0
    3.7634    2.8742   -0.3405 C   0  0  0  0  0
    6.1750    3.2857    0.0683 C   0  0  0  0  0
    6.0347    4.5003    0.1013 O   0  0  0  0  0
    7.5012    2.6788    0.2247 C   0  0  0  0  0
    7.6161    1.3439    0.2039 C   0  0  0  0  0
    6.5487    0.4687    0.0470 O   0  0  0  0  0
    8.9510    0.7145    0.3551 C   0  0  0  0  0
    9.1582   -0.4871    0.3629 O   0  0  0  0  0
    9.9623    1.5915    0.4837 O   0  0  0  0  0
    4.4941   -1.3047   -0.3661 N   0  0  0  0  0
    3.6241   -2.2868   -0.8120 C   0  0  0  0  0
    2.5224   -2.0975   -1.3198 O   0  0  0  0  0
    4.0892   -3.6967   -0.7157 C   0  0  0  0  0
    4.8983   -4.1620    0.3232 C   0  0  0  0  0
    5.2195   -5.5246    0.3900 C   0  0  0  0  0
    4.7377   -6.4281   -0.5653 C   0  0  0  0  0
    3.9369   -5.9585   -1.6041 C   0  0  0  0  0
    3.6119   -4.6017   -1.6750 C   0  0  0  0  0
    5.1101   -7.7303   -0.3728 O   0  0  0  0  0
    4.5423   -8.6944   -1.2538 C   0  0  0  0  0
    0.7230    1.8378   -1.3832 H   0  0  0  0  0
    1.3194    3.4908   -1.2525 H   0  0  0  0  0
    0.8029    2.6202    0.2146 H   0  0  0  0  0
    2.0821   -0.0410   -0.6596 H   0  0  0  0  0
    3.5974    3.9502   -0.3389 H   0  0  0  0  0
    8.3313    3.3636    0.3479 H   0  0  0  0  0
   10.7622    1.0295    0.5654 H   0  0  0  0  0
    5.4506   -1.5722   -0.1582 H   0  0  0  0  0
    5.2493   -3.4998    1.1090 H   0  0  0  0  0
    5.8338   -5.8937    1.2089 H   0  0  0  0  0
    3.5371   -6.6162   -2.3686 H   0  0  0  0  0
    2.9668   -4.2517   -2.4797 H   0  0  0  0  0
    4.9146   -9.6802   -0.9593 H   0  0  0  0  0
    4.8552   -8.5176   -2.2883 H   0  0  0  0  0
    3.4501   -8.7119   -1.1696 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 16  1  0  0  0
  5 12  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 37  1  0  0  0
 24 38  1  0  0  0
 25 26  1  0  0  0
 26 39  1  0  0  0
 26 40  1  0  0  0
 26 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2425822

>  <PubChem CID>
73294509

>  <Formula>
C19H15NO6

>  <Molecular Weight>
353.330000

>  <IUPAC Name>
8-[(4-methoxybenzoyl)amino]-6-methyl-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)O)NC(=O)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)O)NC(=O)C3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C19H15NO6/c1-10-7-13-15(21)9-16(19(23)24)26-17(13)14(8-10)20-18(22)11-3-5-12(25-2)6-4-11/h3-9H,1-2H3,(H,20,22)(H,23,24)

>  <InChI Key>
CVGSJQCEOMANDN-UHFFFAOYSA-N

