
 SCHEMBL3314175

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.1573    0.9603   -2.2469 C   0  0  0  0  0
    0.2230    0.4504   -1.9659 C   0  0  0  0  0
    1.4218    1.0266   -2.3575 C   0  0  0  0  0
    2.6151    0.4090   -1.9771 C   0  0  0  0  0
    2.5966   -0.7681   -1.2155 C   0  0  0  0  0
    1.3849   -1.3361   -0.8186 C   0  0  0  0  0
    0.2056   -0.7139   -1.1989 C   0  0  0  0  0
   -1.1864   -1.1270   -0.8381 C   0  0  0  0  0
   -2.0765   -0.1372   -1.6390 C   0  0  0  0  0
   -2.7226   -0.9267   -2.7995 C   0  0  0  0  0
   -2.1594   -1.4653   -3.7373 O   0  0  0  0  0
   -4.0723   -1.0363   -2.6886 O   0  0  0  0  0
   -3.1722    0.4220   -0.8108 N   0  0  0  0  0
   -2.9655    1.2361    0.2809 C   0  0  0  0  0
   -1.8474    1.5755    0.6491 O   0  0  0  0  0
   -4.1718    1.7159    1.0016 C   0  0  0  0  0
   -5.2940    2.0671    0.2550 C   0  0  0  0  0
   -6.4354    2.5640    0.7791 N   0  0  0  0  0
   -6.4443    2.7533    2.1171 C   0  0  0  0  0
   -5.3783    2.4595    2.9707 C   0  0  0  0  0
   -5.4653    2.7035    4.3542 C   0  0  0  0  0
   -4.3991    2.4053    5.1989 C   0  0  0  0  0
   -3.2401    1.8521    4.6726 C   0  0  0  0  0
   -3.1426    1.6060    3.3001 C   0  0  0  0  0
   -4.2009    1.9142    2.4080 C   0  0  0  0  0
   -1.2905    1.9386   -1.7762 H   0  0  0  0  0
   -1.3044    1.0781   -3.3259 H   0  0  0  0  0
    1.4385    1.9439   -2.9374 H   0  0  0  0  0
    3.5664    0.8474   -2.2673 H   0  0  0  0  0
    3.5337   -1.2352   -0.9235 H   0  0  0  0  0
    1.3725   -2.2389   -0.2164 H   0  0  0  0  0
   -1.3260   -1.0342    0.2441 H   0  0  0  0  0
   -1.3596   -2.1713   -1.1226 H   0  0  0  0  0
   -4.3153   -1.5802   -3.4716 H   0  0  0  0  0
   -4.0977    0.0515   -1.0148 H   0  0  0  0  0
   -5.3081    1.9846   -0.8279 H   0  0  0  0  0
   -7.3722    3.1716    2.5018 H   0  0  0  0  0
   -6.3677    3.1358    4.7830 H   0  0  0  0  0
   -4.4722    2.6053    6.2644 H   0  0  0  0  0
   -2.4013    1.6155    5.3236 H   0  0  0  0  0
   -2.2126    1.1740    2.9335 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
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
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 17 18  1  0  0  0
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 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
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 24 41  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3314175

>  <PubChem CID>
59314209

>  <Formula>
C20H16N2O3

>  <Molecular Weight>
332.359000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CN=CC4=CC=CC=C43

>  <Isomeric SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CN=CC4=CC=CC=C43

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

>  <InChI Key>
IMKQJJQBBWOHMH-UHFFFAOYSA-N

