Molecule Editor

Molecule ID: FYI-1016319 Edit

Molecule Structure InChIKey: RYXZCYOUWLPSPX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN3CCN(CCC(=O)c2cc1c(CO)cc(O)cc1oc2=O)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016319
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016319-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.5042    0.1395    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    0.1092   -0.3352 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424   -1.1293    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0372   -1.1451   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -0.0086    0.1687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882   -0.0444    1.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274   -1.3067    2.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011   -1.3068    3.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1376   -0.2604    4.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003   -2.6263    4.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1326   -2.6283    5.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -3.8465    6.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1327   -3.8983    7.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7738   -2.6594    8.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112   -2.9016    9.9629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3064   -5.1388    8.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6387   -6.2838    7.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8277   -7.4836    8.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7869   -6.2363    6.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6038   -5.0189    5.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7570   -5.0247    4.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -3.8721    3.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7910   -3.9132    2.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368    1.2420   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687    1.2854    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0432   -0.7214   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182    0.1299    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978    1.0349   -0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -1.2481    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440   -1.9954   -0.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -2.1059   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0728   -1.1158   -1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7059    0.8248    1.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613    0.0516    2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962   -2.1732    1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7817   -1.3980    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8787   -1.7090    6.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2287    1.3600   -1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712    1.3702    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8002    2.1941   -0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$