Molecule FYI-1001404

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A

Molecule Summary:

ID: FYI-1001404
SMILES: C1=C(C(=CC=C1)C(=O)N2CC(C(=O)N([H])[H])C3=C2C=CC=C3)CC4CO4

Received at FYIcenter.com on: 2022-07-08

Molecule ID: FYI-1001404 Edit

Molecule Structure SMILES String: C1=C(C(=CC=C1)C(=O)N2CC(C(=O)N([H])[H])C3=C2C=CC=C3)CC4CO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001404
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.8638    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    6.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.5660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9618    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3541    1.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   11.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   11.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388   10.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 15 24  1  0  0  0  0
 15 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001404-3D
FYIcenter.com

 42 45  0  0  1  0  0  0  0  0999 V2000
    0.5298    0.6989    0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573   -0.2583    1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736   -1.2093    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485   -1.1782   -0.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407   -0.2449   -1.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.7106   -0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -2.0930    1.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5680   -1.7573    2.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289   -3.1408    0.3611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9635   -3.4826    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1812   -4.0157   -1.0619 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3507   -2.7801   -1.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8202   -1.7120   -1.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0712   -2.9133   -3.2867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5202   -3.6678   -3.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393   -2.0561   -3.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689   -4.7705   -1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8952   -4.1352   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -4.6332   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -5.8897   -0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -6.5835   -1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6133   -6.0113   -1.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460   -0.1357    2.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1712   -1.3452    3.4855 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3088   -1.3094    4.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -1.1883    4.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    1.4759    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209   -1.8507   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.2336   -2.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.4773   -1.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5843   -2.6337    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1059   -4.2855    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0577   -4.6628   -1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -4.1456    0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -6.3713   -0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571   -7.6008   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879   -6.5756   -2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770    0.0862    3.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    0.7406    3.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -2.2976    3.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1835   -2.2375    5.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151   -0.4257    5.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 404👍, 0💬