Molecule FYI-1013887

A

Molecule Summary:

ID: FYI-1013887
Names:
InChIKey: XKEOKYNYHBXWSS-UHFFFAOYSA-N
SMILES: O=C(COc1cccc(O)c1C2NC3CCCC2CC3)NCCO

Received at FYIcenter.com on: 2025-02-09

Molecule ID: FYI-1013887 Edit

Molecule Structure InChIKey: XKEOKYNYHBXWSS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(COc1cccc(O)c1C2NC3CCCC2CC3)NCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1013887
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.1714    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2595    1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878    3.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3619    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6183    0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0017    1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0017    3.3108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    5.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878    5.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4310    5.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878    7.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    7.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0017    7.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0017    5.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8586    5.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    5.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    5.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4293    5.9507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    5.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    5.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013887-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
    3.9263   -2.3783    5.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619   -1.3175    4.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -0.7615    3.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377    0.4317    3.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665    0.4121    3.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490   -0.8036    3.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211   -0.8329    3.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6063    0.3564    3.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233    1.5663    3.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454    2.7212    3.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4746    1.6493    3.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985    3.0776    3.1863 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4391    3.3172    2.5928 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031    4.2977    3.3071 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1626    3.5939    4.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4382    3.3227    5.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0238    2.8195    5.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0538    3.6286    4.6344 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2583    5.1425    4.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6057    5.5072    3.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589   -0.5161    5.7895 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302   -0.8455    7.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3529   -0.8640    7.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9332   -1.7689    3.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0024    0.5111    6.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
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 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

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