Molecule FYI-1006575

A

Molecule Summary:

ID: FYI-1006575
Names:
InChIKey: OWFYTIOPSVCAFJ-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(OC(=O)CCO)ccc1OCC(O)CNC(C)C

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

Molecule ID: FYI-1006575 Edit

Molecule Structure InChIKey: OWFYTIOPSVCAFJ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006575
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 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  2  1  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 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-1006575-3D
FYIcenter.com

 49 49  0  0  1  0  0  0  0  0999 V2000
    1.9356    0.0951    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -0.1540    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3684   -1.2182   -0.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2272    0.9853   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    2.2345   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963    3.4206   -0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402    4.6762   -0.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    4.8109    1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967    3.9048    2.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9394    6.2357    1.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    6.4088    3.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    6.1429    3.5046 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922    3.3716   -1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366    2.1359   -1.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3067    0.9196   -1.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8156   -0.2429   -2.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9491   -0.0051   -2.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4854   -1.2703   -3.5837 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9310   -2.1951   -2.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3518   -1.8760   -4.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824   -0.9447   -5.4498 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835   -1.4853   -6.2544 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 26  1  0  0  0  0
  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
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 18 38  1  0  0  0  0
 19 39  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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 22 24  1  0  0  0  0
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 23 46  1  0  0  0  0
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 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$

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2024-01-15, 269👍, 0💬