
 CHEMBL2392151

 40 43  0  0  0  0  0  0  0  0999 V2000
   -1.3875    3.4277    1.7048 C   0  0  0  0  0
   -1.4532    2.8712    2.9785 C   0  0  0  0  0
   -2.1556    1.6836    3.1831 C   0  0  0  0  0
   -2.8028    1.0407    2.1157 C   0  0  0  0  0
   -3.5128   -0.1527    2.3099 C   0  0  0  0  0
   -4.1655   -0.7908    1.2442 C   0  0  0  0  0
   -4.0892   -0.2428   -0.0387 C   0  0  0  0  0
   -3.3807    0.9473   -0.2447 C   0  0  0  0  0
   -2.7371    1.6020    0.8210 C   0  0  0  0  0
   -2.0232    2.7974    0.6324 C   0  0  0  0  0
   -4.8834   -2.0630    1.5416 C   0  0  0  0  0
   -4.4490   -2.7561    2.4553 O   0  0  0  0  0
   -6.0079   -2.3271    0.7786 N   0  0  0  0  0
   -6.8909   -3.4295    0.9183 C   0  0  0  0  0
   -6.7124   -4.4416    1.8693 C   0  0  0  0  0
   -7.6250   -5.4959    1.9838 C   0  0  0  0  0
   -8.7314   -5.5561    1.1443 C   0  0  0  0  0
   -8.9172   -4.5571    0.1877 C   0  0  0  0  0
   -8.0091   -3.5011    0.0673 C   0  0  0  0  0
   -8.1687   -2.5067   -0.8737 O   0  0  0  0  0
   -9.2655   -2.5671   -1.7192 C   0  0  0  0  0
  -10.2027   -3.5236   -1.6908 C   0  0  0  0  0
  -10.0818   -4.6064   -0.7083 C   0  0  0  0  0
  -10.9159   -5.5001   -0.6528 O   0  0  0  0  0
   -9.4279   -1.5081   -2.7419 C   0  0  0  0  0
  -10.3549   -1.3838   -3.5220 O   0  0  0  0  0
   -8.3948   -0.6465   -2.7447 O   0  0  0  0  0
   -0.8390    4.3525    1.5448 H   0  0  0  0  0
   -0.9573    3.3588    3.8140 H   0  0  0  0  0
   -2.1938    1.2609    4.1852 H   0  0  0  0  0
   -3.5607   -0.5970    3.3037 H   0  0  0  0  0
   -4.5400   -0.7372   -0.8941 H   0  0  0  0  0
   -3.3223    1.3588   -1.2506 H   0  0  0  0  0
   -1.9549    3.2486   -0.3549 H   0  0  0  0  0
   -6.2914   -1.6410    0.0887 H   0  0  0  0  0
   -5.8687   -4.4433    2.5528 H   0  0  0  0  0
   -7.4659   -6.2664    2.7352 H   0  0  0  0  0
   -9.4411   -6.3755    1.2366 H   0  0  0  0  0
  -11.0557   -3.5583   -2.3583 H   0  0  0  0  0
   -8.6237   -0.0172   -3.4613 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
 10 34  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392151

>  <PubChem CID>
71734946

>  <Formula>
C21H13NO5

>  <Molecular Weight>
359.337000

>  <IUPAC Name>
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H13NO5/c23-17-11-18(21(25)26)27-19-15(17)6-3-7-16(19)22-20(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,24)(H,25,26)

>  <InChI Key>
DQPJQHLZZHUOLW-UHFFFAOYSA-N

