
 CHEMBL2392148

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.3798    0.8539    0.0362 C   0  0  0  0  0
   -1.0829    0.5723    0.3561 C   0  0  0  0  0
   -1.3423   -0.9182    0.5799 C   0  0  0  0  0
   -0.3945   -1.5590    1.6080 C   0  0  0  0  0
    1.0705   -1.2236    1.2884 C   0  0  0  0  0
    1.3049    0.2735    1.0991 C   0  0  0  0  0
   -0.7791   -1.2024    3.0541 C   0  0  0  0  0
   -1.6564   -0.3839    3.3091 O   0  0  0  0  0
   -0.0556   -1.9190    3.9923 N   0  0  0  0  0
   -0.1519   -1.8506    5.4027 C   0  0  0  0  0
   -1.0613   -1.0341    6.0815 C   0  0  0  0  0
   -1.1016   -1.0172    7.4809 C   0  0  0  0  0
   -0.2300   -1.8142    8.2185 C   0  0  0  0  0
    0.6829   -2.6294    7.5486 C   0  0  0  0  0
    0.7240   -2.6534    6.1549 C   0  0  0  0  0
    1.6128   -3.4454    5.4634 O   0  0  0  0  0
    2.5219   -4.2125    6.1760 C   0  0  0  0  0
    2.5735   -4.2692    7.5138 C   0  0  0  0  0
    1.6240   -3.4709    8.3010 C   0  0  0  0  0
    1.6338   -3.5112    9.5239 O   0  0  0  0  0
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    4.4126   -5.6459    6.0636 O   0  0  0  0  0
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    1.7475   -1.5931    2.0659 H   0  0  0  0  0
    1.3536   -1.7423    0.3631 H   0  0  0  0  0
    1.1492    0.7965    2.0502 H   0  0  0  0  0
    2.3475    0.4457    0.8082 H   0  0  0  0  0
    0.6304   -2.5816    3.6446 H   0  0  0  0  0
   -1.7618   -0.3950    5.5519 H   0  0  0  0  0
   -1.8177   -0.3762    7.9911 H   0  0  0  0  0
   -0.2621   -1.7958    9.3059 H   0  0  0  0  0
    3.2785   -4.8724    8.0722 H   0  0  0  0  0
    4.9576   -6.0990    5.3857 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
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 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392148

>  <PubChem CID>
71734944

>  <Formula>
C17H17NO5

>  <Molecular Weight>
315.325000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <Isomeric SMILES>
C1CCC(CC1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H17NO5/c19-13-9-14(17(21)22)23-15-11(13)7-4-8-12(15)18-16(20)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,20)(H,21,22)

>  <InChI Key>
BIOOWBMSUVVROD-UHFFFAOYSA-N

