Molecule FYI-1007767

A

Molecule Summary:

ID: FYI-1007767
Names:
InChIKey: ZUKMELMUNWBYEU-UHFFFAOYSA-N
SMILES: C=CC(=O)NCCOC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Received at FYIcenter.com on: 2024-03-15

Molecule ID: FYI-1007767 Edit

Molecule Structure InChIKey: ZUKMELMUNWBYEU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)NCCOC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007767
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.4871   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    3.6373    2.8000    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
    6.0622    2.8000    0.0000 Cl  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
    3.6373    0.0000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 Cl  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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  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 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007767-3D
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
    2.5335   -1.2915   -5.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1437   -2.1633   -4.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -2.1060   -4.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3259   -1.3009   -4.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0794   -3.0466   -3.4153 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4848   -3.1395   -3.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2668   -4.0196   -4.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6458   -3.9558   -3.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9901   -4.8749   -2.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7094   -6.0645   -2.8124 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6398   -4.1980   -1.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1373   -4.0832   -1.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6965   -2.7888   -1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0668   -2.6061   -1.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8972   -3.7134   -1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3594   -5.0000   -1.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9789   -5.2140   -1.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4192   -6.5173   -1.5933 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494   -7.7468   -1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7333   -7.9468   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6530   -6.8091    1.2654 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4497   -9.1246    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4663  -10.1477   -0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7551   -9.9990   -1.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0617   -8.8101   -2.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2177   -8.6848   -3.6951 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4602   -1.3207   -5.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949   -0.5291   -5.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772   -2.9158   -3.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440   -3.7081   -2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745   -3.5276   -2.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9241   -2.1337   -3.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1819   -3.6405   -5.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8809   -5.0462   -4.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3454   -4.7318   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1776   -3.2086   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0565   -1.9094   -1.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4793   -1.6034   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9638   -3.5824   -1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0458   -5.8394   -1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7290   -6.6475   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9874   -9.2512    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0193  -11.0627   -0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7484  -10.8090   -2.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1473👍, 0💬