Molecule FYI-1003705

A

Molecule Summary:

ID: FYI-1003705
Names:
InChIKey: MRLDSZFMHJZRMV-UHFFFAOYSA-N
SMILES: CCCCCCCC(=O)Oc2ccc(OC)c(CC(=O)Nc1ccccc1)c2

Received at FYIcenter.com on: 2023-07-20

Molecule ID: FYI-1003705 Edit

Molecule Structure InChIKey: MRLDSZFMHJZRMV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(=O)Oc2ccc(OC)c(CC(=O)Nc1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003705
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    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    7.0000    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    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
    1.2124    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
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 17  2  0  0  0  0
 26 15  2  0  0  0  0
 26 11  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003705-3D
FYIcenter.com

 57 58  0  0  0  0  0  0  0  0999 V2000
    0.3244   -5.1670   -2.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159   -4.5937   -1.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746   -5.0469   -3.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659   -4.4586   -2.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413   -4.8986   -3.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198   -4.2926   -3.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4133   -4.7210   -4.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7809   -4.1527   -4.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3265   -3.3093   -5.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3155   -4.7742   -3.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078   -4.7080   -3.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2799   -4.3346   -2.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6751   -4.3138   -1.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4864   -4.6979   -2.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8545   -4.7162   -2.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5231   -4.3888   -1.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8956   -5.1351   -4.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7180   -5.6812   -5.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -7.1993   -5.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3674   -7.8535   -6.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4520   -7.7187   -4.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7160   -9.0864   -3.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7077  -10.0552   -4.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9374  -11.4011   -4.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1806  -11.7910   -3.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2251  -10.8292   -2.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0092   -9.4793   -2.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5021   -5.1391   -4.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -4.8319   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3465   -6.2613   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962   -4.8398   -3.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959   -4.9100   -0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567   -3.4990   -1.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2911   -4.7330   -4.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342   -6.1420   -3.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4470   -4.7725   -1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.3636   -2.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6697   -4.5868   -4.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1142   -5.9932   -3.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7785   -4.5979   -2.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513   -3.1979   -3.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0916   -4.3769   -5.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5006   -5.8127   -4.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6533   -4.0623   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   -4.0004   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5978   -4.4076   -1.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3128   -5.1450   -1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2701   -3.3834   -1.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7224   -5.2489   -5.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -5.3903   -6.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6088   -7.0740   -3.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5400   -9.7906   -5.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9202  -12.1405   -5.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375  -12.8407   -3.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4175  -11.1337   -1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0391   -8.7537   -1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0395   -5.4842   -5.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  2  0  0  0  0
 12 13  2  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2239👍, 0💬