
 SCHEMBL3308598

 53 56  0  0  0  0  0  0  0  0999 V2000
    0.1886    0.2053    1.9371 C   0  0  0  0  0
    1.2259    0.2900    0.8444 C   0  0  0  0  0
    1.5580    1.5594    0.3410 C   0  0  0  0  0
    2.4876    1.7010   -0.6845 C   0  0  0  0  0
    3.0876    0.5729   -1.2345 C   0  0  0  0  0
    2.7700   -0.7100   -0.7550 C   0  0  0  0  0
    1.8349   -0.8674    0.2922 C   0  0  0  0  0
    1.5173   -2.1879    0.8764 C   0  0  0  0  0
    2.2399   -2.6426    1.9168 C   0  0  0  0  0
    1.9242   -3.9197    2.6408 C   0  0  0  0  0
    0.8739   -4.7825    1.9385 C   0  0  0  0  0
   -0.2466   -3.9312    1.3481 C   0  0  0  0  0
    0.3076   -2.9154    0.3443 C   0  0  0  0  0
    3.3733   -1.8635   -1.4792 C   0  0  0  0  0
    2.6913   -2.8167   -1.8348 O   0  0  0  0  0
    4.7191   -1.7496   -1.7819 N   0  0  0  0  0
    5.4214   -2.8227   -2.5241 C   0  0  0  0  0
    4.6962   -3.2064   -3.8458 C   0  0  0  0  0
    5.8268   -3.4478   -4.7996 C   0  0  0  0  0
    5.7616   -4.0394   -6.0508 C   0  0  0  0  0
    6.9408   -4.1685   -6.7861 C   0  0  0  0  0
    8.1578   -3.6987   -6.2695 C   0  0  0  0  0
    8.2091   -3.0865   -5.0148 C   0  0  0  0  0
    7.0341   -2.9698   -4.2898 C   0  0  0  0  0
    6.8387   -2.3337   -2.9480 C   0  0  0  0  0
    5.6215   -4.0629   -1.6244 C   0  0  0  0  0
    5.9124   -5.1953   -1.9775 O   0  0  0  0  0
    5.6030   -3.7780   -0.2990 O   0  0  0  0  0
   -0.7295   -0.2498    1.5522 H   0  0  0  0  0
   -0.0721    1.1989    2.3181 H   0  0  0  0  0
    0.5575   -0.3732    2.7891 H   0  0  0  0  0
    1.0823    2.4511    0.7456 H   0  0  0  0  0
    2.7250    2.6889   -1.0710 H   0  0  0  0  0
    3.7746    0.6967   -2.0684 H   0  0  0  0  0
    3.0762   -2.0640    2.3028 H   0  0  0  0  0
    2.8416   -4.5040    2.7724 H   0  0  0  0  0
    1.5656   -3.6589    3.6445 H   0  0  0  0  0
    1.3520   -5.3586    1.1362 H   0  0  0  0  0
    0.4605   -5.5092    2.6474 H   0  0  0  0  0
   -0.7717   -3.4045    2.1554 H   0  0  0  0  0
   -0.9840   -4.5732    0.8532 H   0  0  0  0  0
   -0.4919   -2.2117    0.0855 H   0  0  0  0  0
    0.5782   -3.4400   -0.5788 H   0  0  0  0  0
    5.2697   -1.1699   -1.1610 H   0  0  0  0  0
    4.0866   -2.3798   -4.2293 H   0  0  0  0  0
    4.0753   -4.1016   -3.7398 H   0  0  0  0  0
    4.8193   -4.4025   -6.4493 H   0  0  0  0  0
    6.9168   -4.6397   -7.7657 H   0  0  0  0  0
    9.0678   -3.8133   -6.8534 H   0  0  0  0  0
    9.1519   -2.7204   -4.6215 H   0  0  0  0  0
    6.8730   -1.2437   -3.0618 H   0  0  0  0  0
    7.6186   -2.6451   -2.2448 H   0  0  0  0  0
    5.7375   -4.6563    0.1153 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 25  1  0  0  0
 17 18  1  0  0  0
 17 26  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3308598

>  <PubChem CID>
25159487

>  <Formula>
C24H25NO3

>  <Molecular Weight>
375.468000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1C2=CCCCC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1C2=CCCCC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H25NO3/c1-16-8-7-13-20(21(16)17-9-3-2-4-10-17)22(26)25-24(23(27)28)14-18-11-5-6-12-19(18)15-24/h5-9,11-13H,2-4,10,14-15H2,1H3,(H,25,26)(H,27,28)

>  <InChI Key>
QQQZWHUERYOCHQ-UHFFFAOYSA-N

