Molecule Editor

Molecule ID: FYI-1007137 Edit

Molecule Structure InChIKey: AYDREGLFLVEKHL-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=O)c2cccc(OCc1ccccc1)c2)c(OC)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007137
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   11.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746   15.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   17.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746   18.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   13.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   11.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
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 14 27  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007137-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
   -3.6368   -0.0119   -0.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    2.2275    0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624   -1.3638    0.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -1.4722   -0.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3484    0.4783   -0.1679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    0.5042   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835    0.0192   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    0.6026   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596   -0.1259   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6937    0.9070    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8124    0.7924   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982   -0.2552   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0080   -0.0520    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462   -1.3222   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086    1.8627   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4157    1.9610   -0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0036    0.4405    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848   -0.9075    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    2.5911   -0.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -1.7889   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6734   -0.7302   -0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398   -0.1485    1.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7848   -1.5152   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5513   -0.9335    1.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2238   -1.6168    0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    2.6111    1.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780   -2.7537    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7696    1.6238    0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2443    1.4654    0.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110   -2.0681   -0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    2.3884   -1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970    2.5886   -0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8067    1.1261    0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4055   -2.8471   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3390   -0.6604   -1.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9224    0.3772    2.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3081   -2.0478   -1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8928   -1.0132    2.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2541   -3.3750    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8490   -2.9415    0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
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  9 28  1  0  0  0  0
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 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
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 24 25  1  0  0  0  0
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 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$