
 SCHEMBL3305341

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.1741    0.6842   -1.0583 C   0  0  0  0  0
    2.3633    1.1859   -0.2852 C   0  0  0  0  0
    2.6041    2.5679   -0.2208 C   0  0  0  0  0
    3.7073    3.0661    0.4676 C   0  0  0  0  0
    4.5890    2.1863    1.0912 C   0  0  0  0  0
    4.3579    0.8007    1.0534 C   0  0  0  0  0
    3.2239    0.2972    0.3919 C   0  0  0  0  0
    2.9019   -1.0375    0.2865 O   0  0  0  0  0
    2.9093   -1.8463    1.4842 C   0  0  0  0  0
    1.6085   -2.6477    1.7715 C   0  0  0  0  0
    2.5149   -3.7914    2.2730 C   0  0  0  0  0
    3.5932   -3.2349    1.3282 C   0  0  0  0  0
    5.3993   -0.0789    1.6400 C   0  0  0  0  0
    5.8381   -1.0355    1.0148 O   0  0  0  0  0
    5.8263    0.2645    2.9019 N   0  0  0  0  0
    6.8831   -0.4434    3.6561 C   0  0  0  0  0
    6.5241   -1.9179    3.9790 C   0  0  0  0  0
    7.8544   -2.6072    3.8950 C   0  0  0  0  0
    8.8191   -1.7839    3.3046 C   0  0  0  0  0
    8.2472   -0.4544    2.9155 C   0  0  0  0  0
   10.1158   -2.2309    3.1112 C   0  0  0  0  0
   10.4302   -3.5202    3.5302 C   0  0  0  0  0
    9.4719   -4.3528    4.1176 C   0  0  0  0  0
    8.1640   -3.8977    4.2996 C   0  0  0  0  0
   11.6792   -3.9765    3.3642 F   0  0  0  0  0
    7.0795    0.3128    4.9922 C   0  0  0  0  0
    7.7994    0.0019    5.9273 O   0  0  0  0  0
    6.3714    1.4692    5.0676 O   0  0  0  0  0
    1.4415   -0.1880   -1.6639 H   0  0  0  0  0
    0.8032    1.4472   -1.7518 H   0  0  0  0  0
    0.3641    0.4177   -0.3731 H   0  0  0  0  0
    1.9390    3.2645   -0.7283 H   0  0  0  0  0
    3.8967    4.1364    0.4893 H   0  0  0  0  0
    5.4797    2.5872    1.5691 H   0  0  0  0  0
    3.2242   -1.3037    2.3858 H   0  0  0  0  0
    1.0254   -2.8996    0.8784 H   0  0  0  0  0
    0.9418   -2.2208    2.5250 H   0  0  0  0  0
    2.7813   -3.7143    3.3342 H   0  0  0  0  0
    2.1759   -4.8079    2.0632 H   0  0  0  0  0
    4.6181   -3.3217    1.6901 H   0  0  0  0  0
    3.5492   -3.6398    0.3101 H   0  0  0  0  0
    5.4017    1.0542    3.3795 H   0  0  0  0  0
    5.8468   -2.3566    3.2447 H   0  0  0  0  0
    6.0835   -2.0330    4.9753 H   0  0  0  0  0
    8.1437   -0.4135    1.8271 H   0  0  0  0  0
    8.9002    0.3640    3.2371 H   0  0  0  0  0
   10.8724   -1.6083    2.6487 H   0  0  0  0  0
    9.7560   -5.3543    4.4250 H   0  0  0  0  0
    7.4141   -4.5424    4.7469 H   0  0  0  0  0
    6.6423    1.8349    5.9387 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 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 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 40  1  0  0  0
 12 41  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 24  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3305341

>  <PubChem CID>
25160667

>  <Formula>
C22H22FNO4

>  <Molecular Weight>
383.419000

>  <IUPAC Name>
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1OC2CCC2)C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OC2CCC2)C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H22FNO4/c1-13-4-2-7-18(19(13)28-17-5-3-6-17)20(25)24-22(21(26)27)11-14-8-9-16(23)10-15(14)12-22/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)

>  <InChI Key>
CDBLFEOUDLTXIW-UHFFFAOYSA-N

