Molecule FYI-1001588

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A

Molecule Summary:

ID: FYI-1001588
SMILES: CC(=O)NCCC1=CNc2c1cc(OC)cc2 CC(=O)NCCc1c[nH]c2ccc(OC)cc12

Received at FYIcenter.com on: 2022-09-22

Molecule ID: FYI-1001588 Edit

Molecule Structure SMILES String: CC(=O)NCCC1=CNc2c1cc(OC)cc2 CC(=O)NCCc1c[nH]c2ccc(OC)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001588
FYIcenter.com

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    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  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001588-3D
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.0766   -3.0355   -0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718   -2.9253   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.3148   -1.4992 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -3.5657    0.4263 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6888   -3.5586    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2654   -2.3709    1.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7655   -2.3777    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057   -2.8805    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8988   -2.6750    0.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9298   -2.0774    1.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6090   -1.8714    2.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3716   -1.2612    3.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4483   -0.9041    4.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0884   -0.3520    5.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500    0.0216    6.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551   -1.1281    3.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0221   -1.7088    2.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415   -2.4949   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -2.5887    0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7746   -4.0829   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -4.0317    1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604   -3.5473   -0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -4.5050    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814   -2.3917    2.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194   -1.4269    0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913   -3.3652   -0.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7149   -2.9355    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3548   -1.0779    3.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106    0.4329    7.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7705    0.8023    6.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7527   -0.8479    6.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6085   -0.8647    4.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434   -1.8732    2.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  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 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$

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2022-10-07, 1289👍, 0💬