Molecule FYI-1014284

A

Molecule Summary:

ID: FYI-1014284
Names:
InChIKey: CISWBOPTCMIKLM-UHFFFAOYSA-N
SMILES: NC(=O)CNC(=O)c2cccc(C(O)c1ccccc1)c2

Received at FYIcenter.com on: 2025-03-23

Molecule ID: FYI-1014284 Edit

Molecule Structure InChIKey: CISWBOPTCMIKLM-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)CNC(=O)c2cccc(C(O)c1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014284
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 12  2  0  0  0  0
 21  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014284-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    3.2780   -1.7235   -2.5938 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.9833   -1.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248   -0.1595   -1.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650   -1.3123   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -1.1476   -0.0406 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798   -2.1565   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1089   -3.2424   -0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -1.8535   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3989   -0.8669    0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7692   -0.6269    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -1.3921    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350   -2.4123   -0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060   -3.3374   -1.5374 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0692   -2.5837   -2.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0035   -4.2244   -0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.1142    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0338   -5.9170    1.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4226   -5.8550    1.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1095   -5.0016    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066   -4.1955   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8505   -2.6219   -0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541   -1.6061   -3.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951   -2.5000   -2.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736   -2.3385    0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -0.6246    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9443   -0.1956    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7176   -0.2996    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1302    0.1409    1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7435   -1.2082    0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6499   -4.0040   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2720   -1.7502   -1.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2431   -5.1832    0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4943   -6.5901    1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9706   -6.4764    1.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1955   -4.9641    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9701   -3.5486   -1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4797   -3.4065   -1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  2  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1550👍, 0💬