
 SCHEMBL3309730

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.3814    1.7556   -0.6110 C   0  0  0  0  0
    0.0137    1.3012   -0.3016 C   0  0  0  0  0
    1.1518    2.0788   -0.1614 C   0  0  0  0  0
    2.3547    1.4448    0.1603 C   0  0  0  0  0
    2.4030    0.0552    0.3473 C   0  0  0  0  0
    1.2499   -0.7185    0.2101 C   0  0  0  0  0
    0.0655   -0.0812   -0.1224 C   0  0  0  0  0
   -1.2829   -0.7038   -0.3010 C   0  0  0  0  0
   -2.1134    0.4274   -0.9749 C   0  0  0  0  0
   -2.0738    0.2309   -2.5189 C   0  0  0  0  0
   -1.2611    0.7554   -3.2703 O   0  0  0  0  0
   -2.9677   -0.6663   -3.0032 O   0  0  0  0  0
   -3.5090    0.4713   -0.4742 N   0  0  0  0  0
   -4.3405   -0.6142   -0.3615 C   0  0  0  0  0
   -3.9657   -1.7173   -0.7657 O   0  0  0  0  0
   -5.7311   -0.4219    0.1404 C   0  0  0  0  0
   -6.4955   -1.5942    0.3065 C   0  0  0  0  0
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   -6.2806    0.8483    0.3796 C   0  0  0  0  0
   -5.5620    1.9954    0.2386 N   0  0  0  0  0
   -6.1676    3.1826    0.4727 C   0  0  0  0  0
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    1.2858   -1.7934    0.3566 H   0  0  0  0  0
   -1.6798   -0.9691    0.6857 H   0  0  0  0  0
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   -3.9337    1.3824   -0.2914 H   0  0  0  0  0
   -6.0525   -2.5717    0.1206 H   0  0  0  0  0
   -8.4140   -2.4284    0.8095 H   0  0  0  0  0
   -9.4478   -0.2261    1.2064 H   0  0  0  0  0
   -5.5375    4.0593    0.3456 H   0  0  0  0  0
   -7.9290    4.2847    1.0151 H   0  0  0  0  0
   -9.2791    2.2240    1.2811 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3309730

>  <PubChem CID>
59314257

>  <Formula>
C20H16N2O3

>  <Molecular Weight>
332.359000

>  <IUPAC Name>
2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC=CC4=C3N=CC=C4

>  <Isomeric SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC=CC4=C3N=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H16N2O3/c23-18(16-9-3-7-13-8-4-10-21-17(13)16)22-20(19(24)25)11-14-5-1-2-6-15(14)12-20/h1-10H,11-12H2,(H,22,23)(H,24,25)

>  <InChI Key>
WKRUMDBYGBYCOL-UHFFFAOYSA-N

