Molecule FYI-1016408

A

Molecule Summary:

ID: FYI-1016408
Names:
InChIKey: HASJWDPFBRPJNC-UHFFFAOYSA-N
SMILES: CCOC(=O)c2ccc(NCNc1ccc(C(=O)OCC)cc1)cc2

Received at FYIcenter.com on: 2025-12-23

Molecule ID: FYI-1016408 Edit

Molecule Structure InChIKey: HASJWDPFBRPJNC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2ccc(NCNc1ccc(C(=O)OCC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016408
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  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-1016408-3D
FYIcenter.com

 47 48  0     0  0  0  0  0  0999 V2000
    7.3659   -0.1087   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3677   -0.1090   -0.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125    2.0986   -0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7145    2.0983    0.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1918   -1.1623    0.0092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1706   -1.1712    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -0.3378    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4819   -0.6564    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4836   -0.6564    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720   -1.5266    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -1.5266   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6903    0.7228    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6922    0.7228    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    0.3616   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0810    0.3615    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8706   -1.0175    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724   -1.0176   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9889    1.2318    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9908    1.2318    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4332    0.8923   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4351    0.8921    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7413    0.2885   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7432    0.2880   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6122   -0.9497   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6139   -0.9503   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2979   -0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8707    1.4353    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6884   -1.7325   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6902   -1.7327   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1297    2.3095    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9452    0.8869   -0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482    0.8880    0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4046   -1.5671    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4016   -1.5683   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4072   -1.5710    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6743   -0.6829   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 29  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 30  1  0  0  0  0
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 12 18  2  0  0  0  0
 12 32  1  0  0  0  0
 13 19  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

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2026-01-24, 144👍, 0💬