Molecule Editor

Molecule ID: FYI-1003230 Edit

Molecule Structure InChIKey: WUBVXTOLZKVNEG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc(NC(C(=O)N2CCc1ccc(OC(F)(F)F)cc12)c3ccc(Cl)cc3)cc(OCCCC(=O)O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003230
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   14.7395    7.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5271    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3147    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1022    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8898    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6773    8.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4649    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276    8.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4649    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6773    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3147    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4649    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9734    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1715    3.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    5.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    5.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    4.1286    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6605    6.8674    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0367    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6773    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4649    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5271   10.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 29  1  0  0  0  0
 33 27  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
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 37 36  1  0  0  0  0
 37 24  1  0  0  0  0
 38 23  2  0  0  0  0
 39 13  2  0  0  0  0
 39  7  1  0  0  0  0
 40  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003230-3D
FYIcenter.com

 66 69  0     1  0  0  0  0  0999 V2000
   -7.6252   -2.8810   -0.8099 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6273   -1.6384    2.2013 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017   -3.1630    3.6578 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388   -2.2163    3.8208 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6363   -3.6980    2.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329    3.5134   -1.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    5.6944    2.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123   -0.0298   -2.4576 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1563    2.2247   -2.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278   -1.2943   -0.6451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684    1.3998    0.5077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004   -1.2650   -2.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4584   -2.1420   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983   -2.6648   -1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4027   -0.6042    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9961   -2.4782    0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810   -3.5308   -1.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7851   -0.5430   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1303    4.6318    1.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1609   -1.9879   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$