Molecule FYI-1006576

A

Molecule Summary:

ID: FYI-1006576
Names:
InChIKey: SWZLCYPLAVBWTM-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(OC(F)CCN)ccc1OCC(O)CNC(C)C

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006576 Edit

Molecule Structure InChIKey: SWZLCYPLAVBWTM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c1cc(OC(F)CCN)ccc1OCC(O)CNC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006576
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006576-3D
FYIcenter.com

 51 51  0  0  1  0  0  0  0  0999 V2000
    2.0825    0.9525    1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6479    0.1527    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469   -1.0698    0.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    0.8960   -1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    2.2093   -1.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5011    3.0019   -2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490    4.2841   -2.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742    4.6042   -2.3615 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6302    5.0139   -1.0739 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    5.7413   -3.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852    5.3129   -4.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937    6.3845   -5.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606    2.4984   -2.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015    1.1992   -2.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987    0.3628   -1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396   -0.9354   -1.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8903   -1.3532   -2.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2608   -2.8368   -2.4085 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7204   -3.1284   -1.0893 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -3.7720   -2.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6259   -3.5257   -4.1540 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4604   -4.3382   -4.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

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2024-01-15, 1671👍, 0💬