
 SCHEMBL3307291

 50 53  0  0  0  0  0  0  0  0999 V2000
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    2.2740    0.5403    0.2616 C   0  0  0  0  0
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    3.2484   -0.4620    0.4841 C   0  0  0  0  0
    2.9361   -1.3255    1.4983 O   0  0  0  0  0
    3.1778   -2.7247    1.3645 C   0  0  0  0  0
    2.1186   -3.3902    0.5405 C   0  0  0  0  0
    2.4091   -3.9072   -0.8456 C   0  0  0  0  0
    2.2208   -4.8755    0.2875 C   0  0  0  0  0
    5.5896   -1.3161   -0.0772 C   0  0  0  0  0
    5.6082   -2.3505   -0.7311 O   0  0  0  0  0
    6.6207   -0.8904    0.7286 N   0  0  0  0  0
    7.8902   -1.6498    0.8355 C   0  0  0  0  0
    8.5978   -1.8166   -0.5442 C   0  0  0  0  0
    9.6223   -0.7204   -0.5346 C   0  0  0  0  0
   10.4000   -0.2865   -1.5963 C   0  0  0  0  0
   11.3407    0.7191   -1.3638 C   0  0  0  0  0
   11.4940    1.2688   -0.0826 C   0  0  0  0  0
   10.7129    0.8169    0.9827 C   0  0  0  0  0
    9.7785   -0.1781    0.7399 C   0  0  0  0  0
    8.8964   -0.8653    1.7343 C   0  0  0  0  0
    7.6920   -3.0176    1.5144 C   0  0  0  0  0
    8.4882   -3.9466    1.5201 O   0  0  0  0  0
    6.5922   -3.0990    2.2971 O   0  0  0  0  0
    1.0470    0.3954    2.0275 H   0  0  0  0  0
    0.3617   -0.3761    0.5671 H   0  0  0  0  0
    0.3415    1.3826    0.7485 H   0  0  0  0  0
    1.7842    2.3681   -0.8003 H   0  0  0  0  0
    3.9505    2.5084   -1.9697 H   0  0  0  0  0
    5.6608    0.7590   -1.6191 H   0  0  0  0  0
    3.0997   -3.1297    2.3805 H   0  0  0  0  0
    4.1859   -2.9668    1.0414 H   0  0  0  0  0
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    3.0968   -5.4066    0.6444 H   0  0  0  0  0
    6.5384    0.0048    1.1922 H   0  0  0  0  0
    7.9248   -1.6832   -1.3957 H   0  0  0  0  0
    9.1070   -2.7810   -0.6444 H   0  0  0  0  0
   10.2940   -0.7240   -2.5843 H   0  0  0  0  0
   11.9680    1.0705   -2.1794 H   0  0  0  0  0
   12.2391    2.0435    0.0839 H   0  0  0  0  0
   10.8500    1.2279    1.9777 H   0  0  0  0  0
    8.3968   -0.1404    2.3857 H   0  0  0  0  0
    9.5120   -1.5297    2.3521 H   0  0  0  0  0
    6.6420   -4.0044    2.6670 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
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  4  5  2  0  0  0
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  5  6  1  0  0  0
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  9 35  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3307291

>  <PubChem CID>
59314401

>  <Formula>
C22H23NO4

>  <Molecular Weight>
365.429000

>  <IUPAC Name>
2-[[2-(cyclopropylmethoxy)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1OCC2CC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OCC2CC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H23NO4/c1-14-5-4-8-18(19(14)27-13-15-9-10-15)20(24)23-22(21(25)26)11-16-6-2-3-7-17(16)12-22/h2-8,15H,9-13H2,1H3,(H,23,24)(H,25,26)

>  <InChI Key>
LQYWUXJBHFXOOE-UHFFFAOYSA-N

