Molecule Editor

Molecule ID: FYI-1001680 Edit

Molecule Structure SMILES String: C=1(C=C(C=CC=1N)OCC(C)C)

Download SDF Download SVG Structure in 2D SDF:

FYI-1001680
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2124    2.8000    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    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  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001680-3D
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.1612    1.5602    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274    1.4559    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437    0.2046   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467   -0.9402    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -0.8288    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9668    0.4264    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424    0.5456    0.3285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2026   -0.0034   -0.0591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9899    1.1889   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4923    0.8874   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103    0.0659    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2587    2.2120   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6079    2.5477    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    2.3811    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065   -1.9228   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9489   -1.7330    0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849   -0.2395   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260    1.4390    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596    1.8070   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7543    1.7427    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7342    0.3064   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6765    0.5923    2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3989   -0.9015    1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9886   -0.1262    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0426    2.8164    0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3388    2.0445   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9744    2.8016   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$