Molecule Editor

Molecule ID: FYI-1015943 Edit

Molecule Structure InChIKey: FODOAIVPGTURMV-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)CCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015943
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   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
    2.4249    1.4000    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
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0496    2.2962    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015943-3D
FYIcenter.com

 45 44  0  0  0  0  0  0  0  0999 V2000
    6.9628    4.1527    1.0631 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4899    2.8236    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0062    2.4403   -0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5204    1.0469   -1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    0.6658   -2.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5821   -0.7357   -2.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0861   -1.1264   -4.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -1.1933   -4.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1487   -1.4597   -5.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5251   -1.7238   -6.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629   -1.4304   -5.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380   -1.0758   -6.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7637   -1.0410   -6.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2849   -0.6690   -8.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8090   -0.6282   -8.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3204   -0.2570   -9.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7411   -0.2304   -9.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5737    4.4141    1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    4.8364    0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3946    2.8081    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8429    2.1017    1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1029    2.4618   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6652    3.1720   -1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4243    1.0211   -1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8642    0.3117   -0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1381    0.7139   -2.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6967    1.3952   -3.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852   -0.7700   -2.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9255   -1.4685   -2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7332   -0.4141   -5.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6973   -2.1138   -4.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0901   -0.9495   -3.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0056   -2.4215   -5.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9918   -0.6990   -4.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8478   -0.0975   -7.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918   -1.8008   -7.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1563   -2.0220   -6.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1205   -0.3123   -6.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8852    0.3106   -8.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9193   -1.3960   -8.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2230   -1.6011   -7.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1864    0.0931   -7.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9551    0.7276   -9.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9976   -0.9916  -10.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0187    0.4409   -8.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  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
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
M  END
$$$$