Molecule FYI-1014375

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A

Molecule Summary:

ID: FYI-1014375
Names:
InChIKey: CXAHABITOXEGFU-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN1CCNCC1

Received at FYIcenter.com on: 2025-04-08

Molecule ID: FYI-1014375 Edit

Molecule Structure InChIKey: CXAHABITOXEGFU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN1CCNCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014375
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2130    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    7.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014375-3D
FYIcenter.com

 37 37  0     0  0  0  0  0  0999 V2000
    2.1498    0.0901    0.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1864   -1.9058   -0.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -0.1980    0.3178 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2515    0.8922   -0.2815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066   -1.0701    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851    1.0099   -0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0898   -0.3153    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0742    1.7524   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4085   -0.9138   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1880   -0.0371    0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1023   -0.7552   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4949    0.6111    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486   -0.4500   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083    0.1064   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9471    1.1833    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8811   -1.4606   -0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143   -1.9311    0.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.7273   -0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854    0.7627   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0916   -0.0517    1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9510   -0.9711    0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1903    2.6161   -0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150    2.1423    0.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4213   -1.2399   -1.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -1.8210    0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0819    1.3993    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1566    0.2641    1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815    0.8537   -0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998    0.9221    1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    1.5075   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089   -1.3326    0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090   -0.7427   -1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914   -0.2173   -1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1214   -0.7663    0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9520    0.7998   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9121    1.5091    1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7816    2.0569   -0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$

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2025-04-26, 460👍, 0💬