Molecule FYI-1014283

A

Molecule Summary:

ID: FYI-1014283
Names:
InChIKey: CFNGIHXSZIWRLN-UHFFFAOYSA-N
SMILES: NCC(=O)NC(=O)c2cccc(C(O)c1ccccc1)c2

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

Molecule ID: FYI-1014283 Edit

Molecule Structure InChIKey: CFNGIHXSZIWRLN-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014283
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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   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  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  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-1014283-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.6741    1.2848    2.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451    1.7968    2.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957    1.1927    1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    0.3210    0.2879 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149    1.6029    1.1091 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8973    2.4365    2.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700    3.0636    2.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    2.6046    2.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1671    2.4008    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    2.6853    0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0976    3.2046    2.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3098    3.4316    3.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859    4.0974    4.5046 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1992    5.3299    4.7492 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8760    3.2227    5.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6355    2.0405    5.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6517    1.2234    6.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9138    1.5760    8.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1655    2.7499    8.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1485    3.5679    6.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    3.0853    3.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887    1.4268    2.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    0.2771    1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144    1.5206    3.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    2.8842    2.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    1.0990    0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7526    2.0697   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1627    2.5393    0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1584    3.4517    2.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9289    4.3825    4.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2733    5.2146    4.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2256    1.7506    4.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2445    0.3127    6.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9273    0.9402    8.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    3.0347    8.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5691    4.4887    6.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3270    3.2279    4.0837 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  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  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, 1141👍, 0💬