
 SCHEMBL3307427

 53 55  0  0  0  0  0  0  0  0999 V2000
    7.7694    1.1182    2.5134 C   0  0  0  0  0
    6.7861    0.0223    2.1990 C   0  0  0  0  0
    5.5022    0.0834    2.7600 C   0  0  0  0  0
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    4.9807   -2.0664    1.8202 C   0  0  0  0  0
    6.2590   -2.1482    1.2262 C   0  0  0  0  0
    7.1437   -1.0625    1.3651 C   0  0  0  0  0
    8.4134   -0.9930    0.8535 O   0  0  0  0  0
    8.5712   -1.1554   -0.5642 C   0  0  0  0  0
    8.1478    0.0976   -1.3260 C   0  0  0  0  0
   10.0587   -1.4243   -0.7875 C   0  0  0  0  0
    6.6784   -3.4693    0.6529 C   0  0  0  0  0
    7.8557   -3.7910    0.5681 O   0  0  0  0  0
    5.6524   -4.3102    0.2684 N   0  0  0  0  0
    5.8662   -5.7019   -0.2081 C   0  0  0  0  0
    6.8382   -6.5341    0.6785 C   0  0  0  0  0
    5.9201   -6.9847    1.7791 C   0  0  0  0  0
    4.5905   -6.9625    1.3485 C   0  0  0  0  0
    4.5129   -6.4727   -0.0698 C   0  0  0  0  0
    3.5574   -7.3420    2.1936 C   0  0  0  0  0
    3.8857   -7.7250    3.5047 C   0  0  0  0  0
    5.2276   -7.7243    3.9361 C   0  0  0  0  0
    6.2579   -7.3666    3.0651 C   0  0  0  0  0
    2.8394   -8.1033    4.4897 C   0  0  0  0  0
    3.0096   -7.9759    5.6951 O   0  0  0  0  0
    1.6827   -8.6416    3.9981 N   0  0  0  0  0
    6.2693   -5.7278   -1.6844 C   0  0  0  0  0
    6.6936   -6.6893   -2.3058 O   0  0  0  0  0
    5.9663   -4.5898   -2.3541 O   0  0  0  0  0
    7.8661    1.7991    1.6638 H   0  0  0  0  0
    8.7500    0.6973    2.7612 H   0  0  0  0  0
    7.4494    1.6949    3.3888 H   0  0  0  0  0
    5.2157    0.9230    3.3902 H   0  0  0  0  0
    3.6140   -0.9125    3.0214 H   0  0  0  0  0
    4.2847   -2.9004    1.7824 H   0  0  0  0  0
    8.0054   -2.0024   -0.9575 H   0  0  0  0  0
    8.6785    0.9837   -0.9638 H   0  0  0  0  0
    7.0774    0.2878   -1.1990 H   0  0  0  0  0
    8.3457   -0.0143   -2.3979 H   0  0  0  0  0
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   10.2804   -1.6117   -1.8422 H   0  0  0  0  0
   10.3834   -2.2912   -0.2014 H   0  0  0  0  0
    4.8141   -3.8553   -0.0686 H   0  0  0  0  0
    7.6874   -5.9839    1.0825 H   0  0  0  0  0
    7.2217   -7.4157    0.1518 H   0  0  0  0  0
    3.6453   -5.8229   -0.2256 H   0  0  0  0  0
    4.4497   -7.3307   -0.7492 H   0  0  0  0  0
    2.5311   -7.2953    1.8570 H   0  0  0  0  0
    5.4668   -8.0028    4.9612 H   0  0  0  0  0
    7.2909   -7.3627    3.4002 H   0  0  0  0  0
    1.6145   -9.0014    3.0574 H   0  0  0  0  0
    1.0350   -9.0009    4.6879 H   0  0  0  0  0
    6.2629   -4.7737   -3.2708 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
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 15 16  1  0  0  0
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 16 17  1  0  0  0
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 16 45  1  0  0  0
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 17 23  1  0  0  0
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 19 47  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
 21 24  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3307427

>  <PubChem CID>
59314210

>  <Formula>
C22H24N2O5

>  <Molecular Weight>
396.443000

>  <IUPAC Name>
5-carbamoyl-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1OC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)C(=O)N)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)C(=O)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H24N2O5/c1-12(2)29-18-13(3)5-4-6-17(18)20(26)24-22(21(27)28)10-15-8-7-14(19(23)25)9-16(15)11-22/h4-9,12H,10-11H2,1-3H3,(H2,23,25)(H,24,26)(H,27,28)

>  <InChI Key>
FNJVCJZJYDGWOH-UHFFFAOYSA-N

