
 SCHEMBL3306514

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.1643    1.7301   -1.3198 C   0  0  0  0  0
    2.5511    1.1547   -1.3774 C   0  0  0  0  0
    3.4921    1.9602   -2.0629 C   0  0  0  0  0
    4.8251    1.5954   -2.1833 C   0  0  0  0  0
    5.2518    0.4092   -1.6129 C   0  0  0  0  0
    4.3514   -0.4262   -0.9254 C   0  0  0  0  0
    2.9767   -0.0741   -0.8206 C   0  0  0  0  0
    2.2082   -1.0009   -0.1485 O   0  0  0  0  0
    0.7719   -0.9731   -0.0802 C   0  0  0  0  0
   -0.0487   -1.4416   -1.3168 C   0  0  0  0  0
   -1.0245   -2.1089   -0.3285 C   0  0  0  0  0
    0.1641   -2.2158    0.6411 C   0  0  0  0  0
    4.9917   -1.6420   -0.3223 C   0  0  0  0  0
    6.0599   -2.0548   -0.7685 O   0  0  0  0  0
    4.3824   -2.2334    0.7637 N   0  0  0  0  0
    4.9605   -3.4407    1.3945 C   0  0  0  0  0
    6.4542   -3.2491    1.7904 C   0  0  0  0  0
    6.5649   -4.0108    3.0764 C   0  0  0  0  0
    7.7231   -4.3947    3.7326 C   0  0  0  0  0
    7.6030   -5.1102    4.9247 C   0  0  0  0  0
    6.3372   -5.4191    5.4459 C   0  0  0  0  0
    5.1756   -5.0108    4.7851 C   0  0  0  0  0
    5.3053   -4.3097    3.5975 C   0  0  0  0  0
    4.2173   -3.7603    2.7247 C   0  0  0  0  0
    4.7977   -4.6732    0.4704 C   0  0  0  0  0
    5.3744   -5.7476    0.5604 O   0  0  0  0  0
    3.8028   -4.5436   -0.4421 O   0  0  0  0  0
    0.4882    1.1734   -1.9680 H   0  0  0  0  0
    1.1430    2.7655   -1.6817 H   0  0  0  0  0
    0.7942    1.7804   -0.2948 H   0  0  0  0  0
    3.1838    2.9055   -2.5095 H   0  0  0  0  0
    5.5292    2.2370   -2.7060 H   0  0  0  0  0
    6.3035    0.1373   -1.6919 H   0  0  0  0  0
    0.4002   -0.0707    0.4146 H   0  0  0  0  0
    0.4807   -2.1442   -1.9700 H   0  0  0  0  0
   -0.5152   -0.6719   -1.9340 H   0  0  0  0  0
   -1.8204   -1.4413    0.0242 H   0  0  0  0  0
   -1.4700   -3.0510   -0.6547 H   0  0  0  0  0
   -0.0795   -2.0800    1.6980 H   0  0  0  0  0
    0.7508   -3.1350    0.5256 H   0  0  0  0  0
    3.3884   -2.0554    0.8633 H   0  0  0  0  0
    6.6921   -2.1961    1.9836 H   0  0  0  0  0
    7.1430   -3.6486    1.0391 H   0  0  0  0  0
    8.7014   -4.1562    3.3271 H   0  0  0  0  0
    8.4970   -5.4348    5.4516 H   0  0  0  0  0
    6.2625   -5.9834    6.3723 H   0  0  0  0  0
    4.1992   -5.2502    5.1933 H   0  0  0  0  0
    3.8102   -2.8542    3.1888 H   0  0  0  0  0
    3.4106   -4.4884    2.5889 H   0  0  0  0  0
    3.8507   -5.3883   -0.9367 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
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
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 11 37  1  0  0  0
 11 38  1  0  0  0
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 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 24  1  0  0  0
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 17 18  1  0  0  0
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 17 43  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 24 48  1  0  0  0
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 25 27  1  0  0  0
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 27 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3306514

>  <PubChem CID>
25160282

>  <Formula>
C22H23NO4

>  <Molecular Weight>
365.429000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1OC2CCC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OC2CCC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

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

>  <InChI Key>
OGIZPFDDOBNJOF-UHFFFAOYSA-N

