Molecule FYI-1005554

A

Molecule Summary:

ID: FYI-1005554
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-1005554 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-1005554
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
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  4  1  0  0  0  0
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 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-1005554-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    7.7328   -2.6747   -2.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6856   -2.6858   -1.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9431   -3.0401   -0.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059   -2.2468   -1.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -2.3715   -3.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -1.9783   -3.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7296   -1.4221   -2.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.2778   -1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4408   -1.7490   -0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   -1.6315    0.6256 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -1.7135    1.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8118   -2.6011    1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574   -2.3888    2.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5652   -3.1434    1.8503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722   -2.5719    1.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6158   -2.8623    1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8378   -1.6488    3.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -1.1201    3.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980   -0.2132    4.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489   -1.4018    3.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245   -0.7157    3.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -0.8848    2.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290   -0.1485    3.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1908    0.5647    4.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262   -2.7121   -2.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6695   -1.7481   -3.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4900   -2.7963   -3.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4938   -0.8153   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -2.2398    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040   -3.3469    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692   -1.4194    3.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7848    0.0776    5.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791   -0.7174    5.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7413    0.0199    4.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113   -0.3000    2.5290 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
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  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  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
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 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, 592👍, 0💬