Molecule FYI-1016112

A

Molecule Summary:

ID: FYI-1016112
Names:
InChIKey: NPCIOPZZQQSOPU-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(NC(=O)CC(=O)Nc1ccc(C(=O)O)cc1)cc2

Received at FYIcenter.com on: 2025-11-19

Molecule ID: FYI-1016112 Edit

Molecule Structure InChIKey: NPCIOPZZQQSOPU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(NC(=O)CC(=O)Nc1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016112
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   15.7616    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  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
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 23 15  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  2  0  0  0  0
 25  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016112-3D
FYIcenter.com

 39 40  0     0  0  0  0  0  0999 V2000
   -1.2034    0.6616    0.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774    0.6973   -0.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5970   -0.1418   -0.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6143   -0.1570    0.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1009    1.8107    0.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0820    1.8407   -0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3869   -1.0605   -0.1733 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -1.0707    0.2054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.2310    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272   -0.6085   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340   -0.6140    0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541   -0.4136    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2482   -0.4046   -0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0046    0.6168    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910    0.6372   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7315   -1.4009   -0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7561   -1.4280    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3489    0.2770   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503    0.2802   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3250    1.0628    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3088    1.0876   -0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0520   -0.9548   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0739   -0.9775    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7258    0.7416    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7244    0.7495   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1439   -1.8725    0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.8809   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2595   -1.9674   -0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2832   -1.9970    0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2697    1.2830    0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420    1.3211   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5106   -2.3617   -1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512   -2.4091    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5367    2.0257    0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044    2.0709   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8180   -1.5984   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -1.6384    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5224    0.1808   -0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5377    0.1690    0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 24  1  0  0  0  0
  3 38  1  0  0  0  0
  4 25  1  0  0  0  0
  4 39  1  0  0  0  0
  5 24  2  0  0  0  0
  6 25  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 30  1  0  0  0  0
 15 21  1  0  0  0  0
 15 31  1  0  0  0  0
 16 22  2  0  0  0  0
 16 32  1  0  0  0  0
 17 23  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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