Molecule FYI-1002218

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A

Molecule Summary:

ID: FYI-1002218
Names:
InChIKey: MVAWJSIDNICKHF-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2ccc(O)cc12

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

Molecule ID: FYI-1002218 Edit

Molecule Structure InChIKey: MVAWJSIDNICKHF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc1c[nH]c2ccc(O)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002218
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.1432    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6473    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  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  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002218-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
   -1.3324   -3.2131    0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -0.7673    0.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1073    2.1045   -0.4805 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369    0.3601   -0.7420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348    1.6201    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    1.7630    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711    0.4101    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    0.7418   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3456    1.6393   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    2.6440   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6057   -0.9399    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0904   -0.2127   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820   -1.9055    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045   -1.5454   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461   -0.7406   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414   -1.9585   -1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881    1.0159    1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3231    2.7405    1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286    2.4027   -0.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    1.7894    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    3.7077   -0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742    2.6297   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.2257    1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424    0.0668   -0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658    0.2647   -1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5532   -2.3073   -0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943   -2.6331   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9284   -2.4725   -0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600   -1.6829   -2.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397   -3.2868    0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 30  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 1406👍, 0💬