
 SCHEMBL3309817

 40 43  0  0  0  0  0  0  0  0999 V2000
   -1.5934    1.0972   -0.9201 C   0  0  0  0  0
   -0.2357    0.6820   -1.4022 C   0  0  0  0  0
    0.5351    1.2948   -2.3770 C   0  0  0  0  0
    1.7893    0.7551   -2.6688 C   0  0  0  0  0
    2.2575   -0.3753   -1.9821 C   0  0  0  0  0
    1.4790   -0.9785   -0.9925 C   0  0  0  0  0
    0.2324   -0.4410   -0.7152 C   0  0  0  0  0
   -0.7524   -0.9070    0.3151 C   0  0  0  0  0
   -2.0345   -0.1198   -0.0656 C   0  0  0  0  0
   -2.9139   -1.0475   -0.9396 C   0  0  0  0  0
   -2.6510   -1.5171   -2.0343 O   0  0  0  0  0
   -4.0923   -1.3835   -0.3511 O   0  0  0  0  0
   -2.8496    0.2666    1.1063 N   0  0  0  0  0
   -2.4180    1.0766    2.1276 C   0  0  0  0  0
   -1.2849    1.5432    2.1854 O   0  0  0  0  0
   -3.3879    1.3456    3.2249 C   0  0  0  0  0
   -4.7808    1.2445    3.0691 C   0  0  0  0  0
   -5.6451    1.5054    4.1339 C   0  0  0  0  0
   -5.1458    1.8803    5.3865 C   0  0  0  0  0
   -3.7556    2.0097    5.5657 C   0  0  0  0  0
   -2.9131    1.7498    4.4856 C   0  0  0  0  0
   -1.6218    1.9712    4.9198 N   0  0  0  0  0
   -1.6208    2.3376    6.2382 C   0  0  0  0  0
   -2.9287    2.3718    6.6656 C   0  0  0  0  0
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    2.4109    1.2162   -3.4323 H   0  0  0  0  0
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    1.8469   -1.8473   -0.4562 H   0  0  0  0  0
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   -0.8973   -1.9911    0.2565 H   0  0  0  0  0
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   -3.7331   -0.2262    1.1901 H   0  0  0  0  0
   -5.2164    0.9866    2.1079 H   0  0  0  0  0
   -6.7204    1.4255    3.9905 H   0  0  0  0  0
   -5.8263    2.0826    6.2090 H   0  0  0  0  0
   -0.8109    1.8852    4.3156 H   0  0  0  0  0
   -0.6933    2.5500    6.7525 H   0  0  0  0  0
   -3.2582    2.6359    7.6618 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3309817

>  <PubChem CID>
59314233

>  <Formula>
C19H16N2O3

>  <Molecular Weight>
320.348000

>  <IUPAC Name>
2-(1H-indole-7-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=CC=CC4=C3NC=C4

>  <Isomeric SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC=CC4=C3NC=C4

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

>  <InChI Key>
PJKRNEGHECUKBK-UHFFFAOYSA-N

