Molecule FYI-1001577

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A

Molecule Summary:

ID: FYI-1001577
SMILES: O=C(C1=C(COCCNC(C3=CC(F)=CC(C(F)(F)F)=C3)=O)NC(C)=C(C(OC)=O)C1C2=CC=CC=C2Cl)OCC

Received at FYIcenter.com on: 2022-09-15

Molecule ID: FYI-1001577 Edit

Molecule Structure SMILES String: O=C(C1=C(COCCNC(C3=CC(F)=CC(C(F)(F)F)=C3)=O)NC(C)=C(C(OC)=O)C1C2=CC=CC=C2Cl)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001577
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    0.7000    6.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    7.2956    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.5956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    7.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    5.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    3.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    5.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0061    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8289    3.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0061    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4387    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1072    0.8989    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8713    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2497    8.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    9.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.6956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621   10.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   11.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8248   11.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3999   11.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   12.8956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    9.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 12  7  1  0  0  0  0
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 19 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21  4  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 30 29  1  0  0  0  0
 31  2  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
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 36 35  2  0  0  0  0
 37 35  2  0  0  0  0
 38 34  1  0  0  0  0
 39 38  2  0  0  0  0
 39 31  1  0  0  0  0
 40  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001577-3D
FYIcenter.com

 68 70  0  0  1  0  0  0  0  0999 V2000
    2.6030    0.6070   -1.4560 O   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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  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
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 31 59  1  0  0  0  0
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 32 37  1  0  0  0  0
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 33 60  1  0  0  0  0
 34 35  2  0  0  0  0
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 41 67  1  0  0  0  0
 41 68  1  0  0  0  0
M  END
$$$$

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2022-10-07, 1595👍, 0💬