Molecule Editor

Molecule ID: FYI-1000446 Edit

Molecule Structure SMILES String: CC(C)C(C(O)=O)NC(=O)OCC1c2c(cccc2)c3c1cccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000446
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    6.4972    0.5828    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522    0.2716    0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9038    1.2586    2.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0342    0.3996   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789   -0.5726   -1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4051   -0.4896   -1.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -1.4267   -1.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    0.1016    0.5671 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.6109    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    1.3172   -0.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259    0.3370    0.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7569    0.9194    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    0.4998    0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0989    0.2093   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231    0.5842   -0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7733    2.8910   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    2.5266    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2461   -0.9788    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9455    1.0369    2.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8886    2.2746    1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190    1.4156   -0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5176   -1.1350   -2.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7116   -0.4622    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0120   -0.1709   -1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5998    2.2084   -1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0358    3.9352   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730    3.2865    0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167   -1.9655    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -4.2227    0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5870   -4.5053   -0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500   -2.5385   -0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 20 25  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  8 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000446-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    2.0185   -0.1860   -1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -0.2148   -1.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    1.0704   -2.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4459   -0.3286   -0.6360 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2684   -1.6029    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470   -1.6386    1.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868   -2.4375    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657   -0.1100   -0.9672 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5472   -0.9500   -1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2514   -0.5069   -2.7103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4244   -2.2500   -1.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2374   -3.2032   -2.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7599   -3.0149   -2.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629   -3.2048   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236   -4.2391   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8411   -4.5724    0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4956   -3.8598    1.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483   -2.8250    1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9316   -2.4836    0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3986   -4.7825   -1.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5546   -4.0894   -2.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381   -4.3963   -4.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3683   -5.4263   -4.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2034   -6.1226   -3.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2226   -5.8006   -2.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638   -0.0698   -2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7116   -1.1048   -0.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480   -1.0748   -2.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    1.9626   -2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    1.1333   -3.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7626    1.1097   -3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003    0.5004    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990   -0.9143    1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0845    0.8442   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -3.1653   -3.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9418   -4.1955   -1.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1014   -2.0346   -2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5808   -5.3639    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3048   -2.2766    2.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9064   -3.8556   -4.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3718   -5.6927   -5.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8420   -6.9195   -4.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8789   -6.3384   -1.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 34  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 11  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
$$$$