Molecule FYI-1005555

A

Molecule Summary:

ID: FYI-1005555
Names:
InChIKey: CDDKNZMEBYHIKA-UHFFFAOYSA-N
SMILES: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3C=O

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005555 Edit

Molecule Structure InChIKey: CDDKNZMEBYHIKA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005555
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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 C   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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
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 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005555-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    7.6963    3.4959   -1.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    2.4009   -1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884    1.5275   -2.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3746    2.3999   -1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    3.6266   -0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    3.6830   -0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706    2.5125   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3504    1.2926   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    1.2115   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031   -0.0777   -1.4723 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -1.0474   -1.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.5946   -2.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -1.3834   -2.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817   -0.6930   -3.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -1.2902   -3.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3374   -0.7086   -3.9743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4280   -2.6831   -3.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929   -3.3713   -2.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -4.7680   -2.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993   -2.6963   -2.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0766   -3.2319   -1.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185   -2.4125   -1.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   -3.0073   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122   -4.1987   -0.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7279    3.1933   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6050    3.6657   -0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4861    4.4197   -1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341    4.5649   -0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434    4.6381    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    2.5387    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7579    0.3940   -0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761    0.0849   -2.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799    0.4341   -3.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200   -3.1191   -3.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084   -5.3866   -1.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -5.2791   -2.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089   -4.7438   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1201   -4.2752   -1.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3159   -2.3421   -0.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

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2023-11-09, 799👍, 0💬