Molecule FYI-1005556

A

Molecule Summary:

ID: FYI-1005556
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-1005556 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-1005556
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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 14 13  1  0  0  0  0
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 16 15  2  0  0  0  0
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 18 17  2  0  0  0  0
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 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 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-1005556-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.5783    0.6234    1.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761    1.8195    2.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127    1.8928    3.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412    2.8794    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3108    4.1757    1.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718    5.2658    0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275    5.0681   -0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    3.7820   -0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0216    2.6586   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740    1.3860   -0.8108 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2141    1.1310   -1.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    1.8962   -1.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.5019   -2.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964    2.2753   -2.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2173    3.0357   -2.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1159    3.5924   -1.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486    2.1431   -3.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2949    1.0593   -4.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    0.2496   -4.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9672    0.6249   -3.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005   -0.0740   -3.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336    0.1698   -2.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5722   -0.6440   -2.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312   -0.3769   -1.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635    0.0076    2.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    0.9220    0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8799    0.0157    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5267    4.3559    2.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333    6.2711    1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.9188   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7541    3.6566   -2.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8478    0.8718   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    2.5040   -1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    2.5413   -3.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578   -0.4661   -5.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823    1.0864   -5.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1729   -0.2814   -4.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4577   -0.8007   -4.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293   -1.5259   -3.3288 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
$$$$

✍: FYIcenter.com

2023-11-09, 2075👍, 0💬