
 SCHEMBL3308365

 40 43  0  0  0  0  0  0  0  0999 V2000
   -1.1967    1.1751   -0.9664 C   0  0  0  0  0
    0.0194    0.6474   -1.6641 C   0  0  0  0  0
    0.8299    1.3279   -2.5601 C   0  0  0  0  0
    1.9467    0.6715   -3.0808 C   0  0  0  0  0
    2.2397   -0.6463   -2.7014 C   0  0  0  0  0
    1.4211   -1.3212   -1.7942 C   0  0  0  0  0
    0.3141   -0.6613   -1.2830 C   0  0  0  0  0
   -0.6577   -1.1824   -0.2705 C   0  0  0  0  0
   -1.7312   -0.0612   -0.1919 C   0  0  0  0  0
   -2.9975   -0.5791   -0.9101 C   0  0  0  0  0
   -3.1197   -0.8702   -2.0889 O   0  0  0  0  0
   -4.0571   -0.7538   -0.0772 O   0  0  0  0  0
   -2.1092    0.2596    1.2027 N   0  0  0  0  0
   -1.2285    0.7487    2.1419 C   0  0  0  0  0
   -0.0539    0.9861    1.8974 O   0  0  0  0  0
   -1.7794    0.9649    3.5045 C   0  0  0  0  0
   -0.9531    0.7714    4.6375 C   0  0  0  0  0
    0.3992    0.3631    4.8438 C   0  0  0  0  0
    0.6440    0.3572    6.1970 C   0  0  0  0  0
   -0.5050    0.7458    6.8290 N   0  0  0  0  0
   -1.4958    1.0002    5.9060 C   0  0  0  0  0
   -2.8173    1.4188    6.1018 C   0  0  0  0  0
   -3.6124    1.6169    4.9705 C   0  0  0  0  0
   -3.1062    1.3975    3.6901 C   0  0  0  0  0
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    2.6005    1.1887   -3.7783 H   0  0  0  0  0
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    1.6577   -2.3354   -1.4889 H   0  0  0  0  0
   -0.1422   -1.3416    0.6819 H   0  0  0  0  0
   -1.0758   -2.1395   -0.6022 H   0  0  0  0  0
   -4.7489   -1.1156   -0.6736 H   0  0  0  0  0
   -3.0293   -0.0588    1.4891 H   0  0  0  0  0
    1.1167    0.1105    4.0720 H   0  0  0  0  0
    1.5368    0.1169    6.7584 H   0  0  0  0  0
   -0.6148    0.8396    7.8292 H   0  0  0  0  0
   -3.2131    1.5973    7.0969 H   0  0  0  0  0
   -4.6379    1.9593    5.0926 H   0  0  0  0  0
   -3.7465    1.5968    2.8348 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
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  1 26  1  0  0  0
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  3  4  1  0  0  0
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  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
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  9 13  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308365

>  <PubChem CID>
59314163

>  <Formula>
C19H16N2O3

>  <Molecular Weight>
320.348000

>  <IUPAC Name>
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=C4C=CNC4=CC=C3

>  <Isomeric SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=C4C=CNC4=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H16N2O3/c22-17(15-6-3-7-16-14(15)8-9-20-16)21-19(18(23)24)10-12-4-1-2-5-13(12)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24)

>  <InChI Key>
KCVWEYMBBSJPEG-UHFFFAOYSA-N

