Molecule FYI-1002969

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A

Molecule Summary:

ID: FYI-1002969
Names:
InChIKey: UQBMHYREWDMIHR-UHFFFAOYSA-N
SMILES: O=C(Nc1ccccc1)OCCOc2ccccc2

Received at FYIcenter.com on: 2023-05-02

Molecule ID: FYI-1002969 Edit

Molecule Structure InChIKey: UQBMHYREWDMIHR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1)OCCOc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002969
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4204    6.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338    7.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    8.4094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    9.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   11.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    8.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    6.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    4.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0547    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    2.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2642    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2642    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    2.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  3  0  0  0
  5  6  1  0  0  0  0
  6  7  2  3  0  0  0
  7  8  1  0  0  0  0
  8  9  2  3  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  3  0  0  0
 15 16  1  0  0  0  0
 16 17  2  3  0  0  0
 17 18  1  0  0  0  0
 18 19  2  3  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002969-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
    2.6344   -0.9559   -0.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -1.0179    0.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9182   -2.2142   -0.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    0.0937    0.2001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238   -1.8926    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -2.2180    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227   -0.0764   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3265    0.4190    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   -0.4570    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6587    1.1884   -0.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7396    1.7364    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2678   -0.5731   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661   -1.1494    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849    0.4389    0.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645    2.0841   -0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0937    2.0619    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6220   -0.2475   -0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6276    1.7094    0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0349    1.0701   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256   -2.8035    0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244   -1.4761    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.9550    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -2.6137   -0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413    0.8656    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5996   -1.4459    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    1.4843   -1.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0170    2.5196    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0235   -1.6133   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3391    0.1453    1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6980    3.0734   -1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4154    3.0877    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3560   -1.0189   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0892    1.3235   -0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4116    2.4064    0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  2  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  2  0  0  0  0
 12 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 34  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

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2023-05-31, 364👍, 0💬