Molecule FYI-1014377

A

Molecule Summary:

ID: FYI-1014377
Names:
InChIKey: GIQJEFWRZUZNHZ-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN1CCN(CCC(=O)OCCCC)C(=O)C1

Received at FYIcenter.com on: 2025-04-08

Molecule ID: FYI-1014377 Edit

Molecule Structure InChIKey: GIQJEFWRZUZNHZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN1CCN(CCC(=O)OCCCC)C(=O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014377
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014377-3D
FYIcenter.com

 57 57  0  0  0  0  0  0  0  0999 V2000
    5.2619   -3.9901    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525   -2.9321    1.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7184   -2.1037    1.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8396   -1.0809    2.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0351   -0.3072    2.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8040    0.9855    2.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9892    1.3346    1.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6067    1.8911    2.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3085    3.3600    2.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9885    4.2781    3.6268 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4584    4.1979    3.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0487    4.5836    2.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    5.8586    1.7623 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2208    6.4484    0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8336    7.8023    0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7200    8.2864   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    7.6667   -1.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3154    9.4512    0.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7196    9.5032   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0766   10.5781   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5979   10.6525   -1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0268   11.6993   -2.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.3252    2.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7663    7.2906    1.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5996    5.6854    3.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465   -4.5578    0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1016   -4.6915    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1747   -3.5345   -0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4967   -3.4195    2.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5771   -2.2714    1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6886   -1.5982    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6061   -2.7476    1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919   -1.5940    3.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9503   -0.4388    2.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6679    1.6549    2.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239    1.6466    3.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2251    3.5039    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5391    3.6018    1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8018    3.2012    3.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8489    4.8753    4.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113    3.8266    1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1416    4.6439    2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4959    6.5477   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9960    5.7499    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4680    7.6981    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0643    8.5513    1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1103    8.5285   -0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1936    9.7407    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6735   11.5446   -0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6006   10.3475   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9859    9.6724   -1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0561   10.8841   -0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6165   11.4841   -3.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1178   11.7197   -2.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6905   12.6973   -1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5127    5.7575    3.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8536    6.3020    4.2167 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
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  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 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1758👍, 0💬