Molecule Editor

Molecule ID: FYI-1016418 Edit

Molecule Structure InChIKey: YUYOORVYAVKWIS-CSKARUKUSA-O

Molecule Structure SMILES String: C/C(=C\C(=O)c1cc(=O)n(C)c(O)[nH+]1)CCCC(C)(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016418
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 21 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016418-3D
FYIcenter.com

 44 44  0  0  0  0  0  0  0  0999 V2000
    0.9684    0.1943   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    0.0257    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910   -0.9720    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314   -2.1452    1.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3044   -2.5384    1.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124   -2.9914    2.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -2.5894    3.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908   -3.5424    3.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734   -3.2659    4.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824   -4.8389    4.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8682   -5.7950    5.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348   -5.1226    3.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -6.2915    3.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -4.2598    2.4998 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2778    1.0910   -0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9878    2.5302   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910    2.8082    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718    4.2518    1.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    5.2860    0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757    4.5618    1.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    4.3542    3.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.5504    0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898    0.1558   -1.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525    1.1615    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771   -0.9733    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7036   -1.5981    3.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035   -5.3695    5.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2303   -6.6709    4.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002   -6.1007    5.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651   -6.9154    3.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805   -4.5324    1.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643    1.0130   -1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537    0.9013   -0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9438    2.7708   -0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    3.1918   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3493    2.5928    1.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7337    2.1156    1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986    5.3067   -0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.0860    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6196    6.2951    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121    4.5455    0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2569    5.5520    2.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908    3.8436    2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946    4.3009    3.1766 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
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  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 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$