Molecule Editor

Molecule ID: FYI-1005578 Edit

Molecule Structure InChIKey: SPGRXIUFZUKQJH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(C(=O)O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005578
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 11  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005578-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
   -1.4349   -1.5397   -1.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528   -1.8205   -1.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -3.0507   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965   -3.3513   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -4.4997    0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -2.2786    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216   -0.9821   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399    0.0314    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6564    1.3697   -0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    2.2498    0.0130 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146    3.7193    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    4.2407    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133    4.1346    1.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9816    4.6462    2.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0994    5.2573    3.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7487    5.3566    3.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    4.8486    2.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    4.3557   -1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400    3.6078   -2.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220    4.2054   -3.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0907    5.5624   -3.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    6.3338   -2.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204    5.7378   -1.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163    1.6095   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666    2.8824   -1.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886    3.4763   -2.5920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1050    3.2781   -1.5686 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6091    0.5670   -1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -0.7302   -0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -2.4371   -2.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358   -1.1596   -2.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315   -0.7980   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -3.9064   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7186   -0.2387    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3078    1.9019    0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    4.0191   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2243    3.6835    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390    4.5703    3.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4629    5.6627    4.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2218    4.9421    2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0759    2.5353   -2.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7509    3.5978   -4.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372    6.0120   -4.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    7.3892   -2.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    6.3489   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106    2.7118   -0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252    0.7817   -2.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$