
 CHEMBL2392180

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.8379    2.2419   -1.3067 C   0  0  0  0  0
    0.8121    1.8803   -0.2690 C   0  0  0  0  0
    1.9434    0.9293   -0.5696 C   0  0  0  0  0
    3.0731    0.7319    0.3948 C   0  0  0  0  0
    2.8940   -0.5042    1.0898 O   0  0  0  0  0
    3.9138   -0.8674    1.9307 C   0  0  0  0  0
    3.8011   -2.1410    2.4970 C   0  0  0  0  0
    4.7879   -2.6321    3.3631 C   0  0  0  0  0
    5.9041   -1.8432    3.6645 C   0  0  0  0  0
    6.0010   -0.5581    3.1193 C   0  0  0  0  0
    5.0151   -0.0742    2.2567 C   0  0  0  0  0
    7.0140   -2.2969    4.5521 C   0  0  0  0  0
    7.6327   -1.4487    5.1845 O   0  0  0  0  0
    7.2720   -3.6528    4.5376 N   0  0  0  0  0
    8.3177   -4.3385    5.2007 C   0  0  0  0  0
    9.2909   -3.7094    5.9825 C   0  0  0  0  0
   10.3127   -4.4524    6.5855 C   0  0  0  0  0
   10.3683   -5.8339    6.4198 C   0  0  0  0  0
    9.3932   -6.4705    5.6507 C   0  0  0  0  0
    8.3774   -5.7331    5.0432 C   0  0  0  0  0
    7.3981   -6.3250    4.2780 O   0  0  0  0  0
    7.3900   -7.7035    4.1656 C   0  0  0  0  0
    8.3077   -8.5175    4.7030 C   0  0  0  0  0
    9.4120   -7.9307    5.4748 C   0  0  0  0  0
   10.2922   -8.6356    5.9485 O   0  0  0  0  0
    6.2943   -8.3301    3.3910 C   0  0  0  0  0
    6.0799   -9.5216    3.2639 O   0  0  0  0  0
    5.5096   -7.4108    2.7982 O   0  0  0  0  0
    1.5430    2.2148   -2.3493 H   0  0  0  0  0
    2.5430    3.0310   -1.0686 H   0  0  0  0  0
   -0.1812    1.6144   -0.6129 H   0  0  0  0  0
    0.8225    2.4242    0.6688 H   0  0  0  0  0
    1.7235    0.0279   -1.1302 H   0  0  0  0  0
    3.1012    1.5607    1.1123 H   0  0  0  0  0
    4.0064    0.7041   -0.1807 H   0  0  0  0  0
    2.9346   -2.7566    2.2625 H   0  0  0  0  0
    4.6481   -3.6122    3.8037 H   0  0  0  0  0
    6.8551    0.0751    3.3600 H   0  0  0  0  0
    5.1434    0.9281    1.8627 H   0  0  0  0  0
    6.7004   -4.2409    3.9414 H   0  0  0  0  0
    9.2914   -2.6345    6.1382 H   0  0  0  0  0
   11.0653   -3.9445    7.1852 H   0  0  0  0  0
   11.1635   -6.4082    6.8908 H   0  0  0  0  0
    8.2928   -9.5961    4.6026 H   0  0  0  0  0
    4.8467   -7.9475    2.3136 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392180

>  <PubChem CID>
71733937

>  <Formula>
C21H17NO6

>  <Molecular Weight>
379.368000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1COC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O

>  <Isomeric SMILES>
C1CC1COC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H17NO6/c23-17-10-18(21(25)26)28-19-15(17)2-1-3-16(19)22-20(24)13-6-8-14(9-7-13)27-11-12-4-5-12/h1-3,6-10,12H,4-5,11H2,(H,22,24)(H,25,26)

>  <InChI Key>
XLFXGGJNLVVLDM-UHFFFAOYSA-N

