Molecule FYI-1014389

A

Molecule Summary:

ID: FYI-1014389
Names:
InChIKey: LOQJFUCTYADWES-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)COC(COC(=O)Nc1cc(N=C=O)ccc1C)COC(=O)C(=C)C

Received at FYIcenter.com on: 2025-04-11

Molecule ID: FYI-1014389 Edit

Molecule Structure InChIKey: LOQJFUCTYADWES-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)COC(COC(=O)Nc1cc(N=C=O)ccc1C)COC(=O)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014389
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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
    7.2746    5.6000    0.0000 O   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
    4.8496    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  2  0  0  0  0
 11 28  2  0  0  0  0
 16 29  2  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014389-3D
FYIcenter.com

 54 54  0  0  1  0  0  0  0  0999 V2000
    1.0469    2.1361    0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    2.3500    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    3.6052    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9651    1.2725   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2869    0.4025   -1.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958    1.2029   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1284    2.3361   -1.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5685    2.2819   -1.2309 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1504    1.0894   -2.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7376    0.9964   -3.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7533    1.2205   -4.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5710    2.1155   -4.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7268    0.2673   -5.2456 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7044    0.0792   -6.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9871    0.6482   -6.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9559    0.5205   -7.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2056    1.1348   -6.9322 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7391    1.5300   -7.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2795    1.9109   -8.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333   -0.2569   -8.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3761   -0.8492   -8.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3929   -0.6787   -7.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0290   -1.2634   -7.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1076    3.6268   -1.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5449    3.6747   -1.7604 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1574    3.9520   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5773    4.1463    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6443    3.9574   -0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    3.6915   -1.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4387    4.2691    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5109    2.8733    1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123    1.2155    0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    4.3214    1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729    4.1008   -0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7303    0.3201   -1.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    1.0286    0.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8874    2.1677   -0.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058    0.1537   -1.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1589   -1.4241   -9.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -1.5928   -8.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2566   -0.5046   -7.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430   -2.1252   -6.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7063    4.4621   -1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7587    3.8001   -2.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.4591   -2.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3510    3.7022   -1.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8096    4.4598    1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0541    5.1614    0.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0986    3.4316    0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  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
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 22  2  0  0  0  0
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 16 17  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1559👍, 0💬