Molecule Editor

Molecule ID: FYI-1000326 Edit

Molecule Structure SMILES String: C[C@@](c1ccccc1)(C(=O)OC)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000326
FYIcenter.com

 13 13  0  0  1  0  0  0  0  0999 V2000
    4.3373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
    2.9373    4.0124    0.0000 N   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  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  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
  2 13  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000326-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    0.9522   -0.0765   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863    0.0808   -0.0387 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9615    1.5080   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054    2.6428   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    3.9337   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    4.1184   -0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6959    3.0132   -1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2235    1.7238   -0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -0.4036    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3229   -1.5609    1.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    0.5905    2.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3558    0.2061    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9836   -0.8574   -1.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925    0.4820    0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -1.1250    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4972    0.2657   -0.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    2.5479    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851    4.7957    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957    5.1219   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6701    3.1499   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    0.8776   -1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    1.0727    4.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4098   -0.0861    3.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303   -0.6033    3.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6879   -1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -1.8115   -0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  1  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  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
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$