Molecule FYI-1004558

A

Molecule Summary:

ID: FYI-1004558
Names:
InChIKey: HLJFZRFJVKTYNX-VQHVLOKHSA-N
SMILES: COc1cc(CN(C)C(=O)CCCC/C=C/C(C)C)ccc1O

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004558 Edit

Molecule Structure InChIKey: HLJFZRFJVKTYNX-VQHVLOKHSA-N

Molecule Structure SMILES String: COc1cc(CN(C)C(=O)CCCC/C=C/C(C)C)ccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004558
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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 C   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
    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004558-3D
FYIcenter.com

 52 52  0     0  0  0  0  0  0999 V2000
    0.3125   -2.9993   -1.4985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833    2.5808   -1.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9552    2.6293   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -2.2176    0.0465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -1.6971   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612   -0.8642    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5234   -1.5284    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3407   -0.9764   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5728   -2.3183   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117   -1.4246    1.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3842   -0.1398    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1772    1.6862    0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040   -0.3471    0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1145    0.7958   -0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9594   -2.9440   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4441   -0.3224    1.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8072    1.6312   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658    0.6790    1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0473    1.6559    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958    2.4832   -1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5015   -3.5001    0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
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  3 49  1  0  0  0  0
  4  9  1  0  0  0  0
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  5 24  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
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  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
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 15 37  1  0  0  0  0
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 15 39  1  0  0  0  0
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 20 22  2  0  0  0  0
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 21 48  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1107👍, 0💬