Molecule Editor

Molecule ID: FYI-1015325 Edit

Molecule Structure InChIKey: STAAOACPOCHEOW-GQCTYLIASA-N

Molecule Structure SMILES String: CC(C)CCNC(=O)/C=C/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015325
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   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
    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
    2.4249    4.2000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  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  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015325-3D
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
    2.9034    0.2081    1.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872   -0.0817    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -0.1489   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283    0.9708   -0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5548    1.0797   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895   -0.1496   -1.4387 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4007   -0.4115   -2.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0965    0.3523   -3.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0442   -1.7271   -3.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3592   -2.0622   -4.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9568   -3.2348   -4.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4854   -0.5410    2.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516    1.1936    1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902    0.1769    1.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -1.0676   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.8170    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.8940    0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.4332   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201    1.9561   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    0.7359   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9692    1.3399   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    1.8831   -1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4178   -0.8399   -0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451   -2.3768   -2.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1726   -1.4285   -5.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1115   -3.7875   -3.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$