Molecule FYI-1004337

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A

Molecule Summary:

ID: FYI-1004337
Names:
InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES: O=C(CCCCCCC(=O)Nc1ccccc1)NO

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004337 Edit

Molecule Structure InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCCCC(=O)Nc1ccccc1)NO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004337
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004337-3D
FYIcenter.com

 39 39  0     0  0  0  0  0  0999 V2000
   -2.2524    1.4364    0.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3266   -0.0167   -1.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998   -1.0588    1.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169   -0.6674   -0.1723 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1866   -0.3582    1.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044   -0.2605   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8927    0.6907   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741    0.4835   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2232   -0.0580   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308   -0.4488   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289    0.8618   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1709    0.2427   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464    0.1213   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6027   -0.4123   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206   -1.4514   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0508    0.8778    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8865   -1.2005   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4166    1.1287    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3345    0.0895    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7459   -0.7424   -1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660   -1.0554    0.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430    1.4764   -0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    1.1846    0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030    1.2718   -0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477    0.9864    0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2860   -0.5453   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614   -0.8611    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.9078   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.2557    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    1.6492   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3719    1.3663    0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9751   -1.6329   -0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7867   -0.1600    1.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1849   -2.4613   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4031    1.7332    0.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6013   -2.0095   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7670    2.1329    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3980    0.2850    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0700   -1.9715    0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 39  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
  5 13  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1525👍, 0💬