Molecule Editor

Molecule ID: FYI-1014835 Edit

Molecule Structure InChIKey: KLVMLUFLJDNQQK-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(N(C)C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014835
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6376   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   17.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   17.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   18.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   15.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 20 26  1  0  0  0  0
 20 22  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014835-3D
FYIcenter.com

 57 58  0     0  0  0  0  0  0999 V2000
    4.3199   -0.0483   -0.2151 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    2.1764   -0.6157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452   -2.2139    0.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    3.4436    1.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315   -3.5995   -1.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5885    1.9104   -0.7878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6177   -1.8160    0.8753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228    2.1288   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736   -2.0788    0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797    2.5607    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -2.5982   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484    1.5851   -1.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -1.4972    1.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    2.8886    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734   -2.9202   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6203    1.1894    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820   -1.1513    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028    1.8011   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0856   -1.7570    0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947    3.1045    0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436   -3.1799   -0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    2.3250   -0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350   -2.3996    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884    2.7849    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8014   -2.8741   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6956   -2.4152    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5655    3.3331    1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6772   -2.1116    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
  6  8  1  0  0  0  0
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  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
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  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
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 29 57  1  0  0  0  0
M  END
$$$$