
 CHEMBL2392163

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.6767    0.3035   -0.4522 C   0  0  0  0  0
    1.9480    1.1232    0.7956 C   0  0  0  0  0
    2.8697    2.1858    0.5044 O   0  0  0  0  0
    4.1838    1.8513    0.5812 C   0  0  0  0  0
    4.6257    0.7438    0.8508 O   0  0  0  0  0
    5.0263    3.0439    0.2876 C   0  0  0  0  0
    6.3533    2.8652    0.3282 C   0  0  0  0  0
    7.2332    4.0054    0.0572 C   0  0  0  0  0
    8.4504    3.8836    0.0846 O   0  0  0  0  0
    6.5815    5.2857   -0.2466 C   0  0  0  0  0
    7.3552    6.4134   -0.5152 C   0  0  0  0  0
    6.7134    7.6049   -0.8087 C   0  0  0  0  0
    5.3227    7.6894   -0.8440 C   0  0  0  0  0
    4.5376    6.5633   -0.5746 C   0  0  0  0  0
    5.1848    5.3506   -0.2678 C   0  0  0  0  0
    4.4005    4.2482   -0.0022 O   0  0  0  0  0
    3.1188    6.5778   -0.5972 N   0  0  0  0  0
    2.3038    7.6537   -0.9071 C   0  0  0  0  0
    2.6836    8.7840   -1.1921 O   0  0  0  0  0
    0.8323    7.4084   -0.8587 C   0  0  0  0  0
   -0.0031    8.5040   -0.5957 C   0  0  0  0  0
   -1.3922    8.3501   -0.5438 C   0  0  0  0  0
   -1.9616    7.0970   -0.7600 C   0  0  0  0  0
   -1.1333    6.0097   -1.0552 C   0  0  0  0  0
    0.2581    6.1571   -1.1044 C   0  0  0  0  0
   -3.2997    6.8162   -0.7404 O   0  0  0  0  0
   -4.1375    7.7805   -0.1116 C   0  0  0  0  0
    7.4446    8.6971   -1.0647 F   0  0  0  0  0
    0.9427   -0.4812   -0.2481 H   0  0  0  0  0
    2.5937   -0.1646   -0.8238 H   0  0  0  0  0
    1.2971    0.9426   -1.2561 H   0  0  0  0  0
    2.3125    0.4946    1.6167 H   0  0  0  0  0
    1.0193    1.5904    1.1388 H   0  0  0  0  0
    6.8316    1.9186    0.5538 H   0  0  0  0  0
    8.4406    6.3739   -0.4996 H   0  0  0  0  0
    4.8963    8.6576   -1.0815 H   0  0  0  0  0
    2.6791    5.7071   -0.3226 H   0  0  0  0  0
    0.4273    9.4917   -0.4347 H   0  0  0  0  0
   -1.9961    9.2305   -0.3499 H   0  0  0  0  0
   -1.5807    5.0379   -1.2531 H   0  0  0  0  0
    0.8598    5.2931   -1.3678 H   0  0  0  0  0
   -5.1514    7.3705   -0.0769 H   0  0  0  0  0
   -4.1762    8.7102   -0.6881 H   0  0  0  0  0
   -3.8171    7.9679    0.9191 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
 26 27  1  0  0  0
 27 42  1  0  0  0
 27 43  1  0  0  0
 27 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392163

>  <PubChem CID>
71734940

>  <Formula>
C20H16FNO6

>  <Molecular Weight>
385.347000

>  <IUPAC Name>
ethyl 6-fluoro-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylate

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)C1=CC(=O)C2=CC(=CC(=C2O1)NC(=O)C3=CC=C(C=C3)OC)F

>  <Isomeric SMILES>
CCOC(=O)C1=CC(=O)C2=CC(=CC(=C2O1)NC(=O)C3=CC=C(C=C3)OC)F

>  <InChI Std. ID>
InChI=1S/C20H16FNO6/c1-3-27-20(25)17-10-16(23)14-8-12(21)9-15(18(14)28-17)22-19(24)11-4-6-13(26-2)7-5-11/h4-10H,3H2,1-2H3,(H,22,24)

>  <InChI Key>
RZJVSJYNTZDPDF-UHFFFAOYSA-N

