Molecule FYI-1009393

A

Molecule Summary:

ID: FYI-1009393
Names:
InChIKey: YXEMNUUNDIIKHA-UHFFFAOYSA-N
SMILES: O=C(O)C1C=CC=CC1c3ccc(CN2CCOCC(F)(F)C2)o3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009393 Edit

Molecule Structure InChIKey: YXEMNUUNDIIKHA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C1C=CC=CC1c3ccc(CN2CCOCC(F)(F)C2)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009393
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    2.6378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7017    5.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4228    5.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    5.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6299    6.3666    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902    5.2465    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9096    3.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 15  1  0  0  0  0
 24 13  1  0  0  0  0
 24 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009393-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    2.1818    1.7845   -1.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9179    0.6709   -0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6423    0.2454   -0.5945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -0.3206   -0.2650 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5724   -1.2965    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441   -2.6243    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997   -3.2084   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400   -2.4666   -1.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   -0.9924   -1.5344 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0936   -0.8361   -1.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632   -1.6412   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2554   -0.8916   -0.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    0.3219   -1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666    1.5476   -1.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7839    2.5335   -0.6213 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    1.9484    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4909    2.9499    1.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3519    3.1351    2.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1253    3.4495    1.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966    4.2036    0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9797    4.7824    0.4029 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792    5.2323    0.6994 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
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  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
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  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 12  1  0  0  0  0
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 15 23  1  0  0  0  0
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 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 165👍, 0💬