Molecule FYI-1001658

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Molecule Summary:

ID: FYI-1001658
SMILES: O=C(OCC)CC(/C)=N\\NC(=O)COc1ccc2C=CC(=O)Oc2c1

Received at FYIcenter.com on: 2022-10-25

Molecule ID: FYI-1001658 Edit

Molecule Structure SMILES String: O=C(OCC)CC(/C)=NNC(=O)COc1ccc2C=CC(=O)Oc2c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001658
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  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 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 25 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001658-3D
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.0107    1.0580    1.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4947   -0.0123    1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1457   -0.2467    1.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2698    0.9017    1.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357    1.3704    2.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304   -1.2156    0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7537   -1.1318    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4014    0.0238   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4570   -2.0842    1.3036 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331   -2.0025    1.1978 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001   -2.9476    1.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3716   -3.9452    2.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1757   -2.5906    1.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5385   -3.0332    0.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8339   -2.8615   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1291   -3.4501   -1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4064   -3.3537   -2.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4116   -2.6617   -1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7558   -2.5358   -1.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6801   -1.8545   -1.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3887   -1.2136    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2527   -0.5723    0.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986   -1.3570    0.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1115   -2.0769   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389   -2.1694    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714    0.5958    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692    1.7244    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236    0.5543    3.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    2.1684    2.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    1.7641    3.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432   -1.3014   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028   -2.1195    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527    0.7019   -0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9992   -0.3682   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    0.5743    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412   -1.2841    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7956   -3.0616    2.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851   -1.5009    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3518   -3.9963   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5976   -3.8257   -3.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9942   -3.0063   -2.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6929   -1.7368   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6724   -1.6936    1.3945 H   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
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  3  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  2  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 443👍, 0💬