Molecule FYI-1016341

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Molecule Summary:

ID: FYI-1016341
Names:
InChIKey: VSDUZFOSJDMAFZ-UHFFFAOYSA-N
SMILES: COC(=O)C(N)Cc1ccccc1

Received at FYIcenter.com on: 2025-12-08

Molecule ID: FYI-1016341 Edit

Molecule Structure InChIKey: VSDUZFOSJDMAFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C(N)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016341
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 N   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016341-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
   -2.7782   -1.1236   -0.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4588    1.0787   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9977    1.9647   -0.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350    0.0572    0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215    0.5158   -0.4035 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2213   -0.0750    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864    0.2281   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6892   -1.2864   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    1.0177    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0339   -1.4086   -0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    0.8954    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8921   -0.3177   -0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257   -1.5462    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5764   -0.9124    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361    0.7370    1.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550    0.0213   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278   -2.1407   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955    1.9655    0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5733    2.2658   -1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0397    2.2025   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124   -2.3530   -0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745    1.7444    0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9391   -0.4129   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1391   -2.6390    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7731   -1.2083   -0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4827   -1.1654    1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

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