Molecule FYI-1005572

A

Molecule Summary:

ID: FYI-1005572
Names:
InChIKey: BDZAVKVERYWOIT-UHFFFAOYSA-N
SMILES: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3C(=O)O

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

Molecule ID: FYI-1005572 Edit

Molecule Structure InChIKey: BDZAVKVERYWOIT-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005572
FYIcenter.com

 25 27  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    6.3000    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    6.3000    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    6.3000    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
    3.6373    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
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  9  4  1  0  0  0  0
 10  9  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
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005572-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    7.7572   -3.4122    1.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7482   -2.3680    1.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0535   -1.4239    2.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419   -2.5076    1.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8453   -3.7858    1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5243   -3.9578    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910   -2.8572    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1805   -1.5824    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4874   -1.3834    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139   -0.0464    1.6927 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9751    0.8753    2.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    0.3759    3.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554    1.0760    3.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8510    0.3295    4.0047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.5844    3.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084   -0.2716    3.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152    1.9877    3.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520    2.8715    2.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321    4.2840    2.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260    2.3491    2.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039    2.9634    2.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862    2.2322    1.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9529    2.9551    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    4.1715    1.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    2.1682    0.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7652   -3.0439    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843   -3.5882    0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6039   -4.3426    1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4722   -4.6679    1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402   -4.9559    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -2.9837    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4977   -0.7444    0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175   -0.1694    2.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -0.6321    3.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7659    2.2497    3.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208    4.9630    2.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    4.6795    3.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879    4.3249    1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    3.9816    1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5365    1.2132    0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  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 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  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 34  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 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$

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2023-11-13, 2146👍, 0💬