Molecule FYI-1012601

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A

Molecule Summary:

ID: FYI-1012601
Names:
InChIKey: AMJIYNTULNEVBG-UHFFFAOYSA-N
SMILES: NCCCCCCNC(=O)c1ccc(C(=O)O)cc1

Received at FYIcenter.com on: 2024-09-30

Molecule ID: FYI-1012601 Edit

Molecule Structure InChIKey: AMJIYNTULNEVBG-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)c1ccc(C(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012601
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.9397    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    3.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    5.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795    5.5819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8190    5.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    5.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982    5.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6379    5.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5775    5.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5171    5.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4566    5.0388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012601-3D
FYIcenter.com

 39 39  0     0  0  0  0  0  0999 V2000
    0.3166   -2.7559   -0.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    1.1197   -0.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749    2.8300    0.5022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6452   -1.6666    0.8198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7084    3.1439   -0.2469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4283   -0.5707    0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6293   -0.0463   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9762   -1.9690    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1028    1.3374    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168   -2.4935    0.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837    1.8172   -0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3407   -1.8689   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024   -0.9442   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197   -1.3773   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3262    0.3175    0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.7723    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104   -0.5091   -0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    1.1857    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7956    1.6779    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.1388    0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873   -0.5914    1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4586   -0.7585   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3632   -0.0086   -1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842   -1.9420   -0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8183   -2.6661    0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2725    2.0501    0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3897    1.2957    1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024   -2.5355    1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -3.5114    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1232    1.1193   -0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9991    1.8606   -1.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340   -0.9571    1.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5278    3.4270   -0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0023    3.1101    0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8548   -2.3735   -0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3698    0.6897    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594   -0.8720   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768    2.1829    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6890    1.7383   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 19  1  0  0  0  0
  2 39  1  0  0  0  0
  3 19  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  5 11  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  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 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1182👍, 0💬