Molecule Editor

Molecule ID: FYI-1006987 Edit

Molecule Structure InChIKey: OUYCCCASQSFEME-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(Cc1ccc(O)cc1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006987
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.7249    0.8876    0.0000 N   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
    3.1249    0.8876    0.0000 H   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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006987-3D
FYIcenter.com

 24 24  0     1  0  0  0  0  0999 V2000
   -1.7619   -1.5945   -1.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2150   -0.6269   -0.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4482   -1.1830    0.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2403    1.4949   -0.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0581    1.0101    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473    0.6538   -0.3512 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3550    0.5711    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735   -0.6902    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012    1.4398   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -0.7838   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772   -1.0947    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    1.0352   -0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428   -0.2320   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740    0.5757    1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452    2.0971    0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180    0.8230   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085   -1.3685    1.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    2.4275   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6868    1.3500    0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9225    1.2302   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   -2.0828    0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.7164   -1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -2.5294   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6726    0.0929   -0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  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  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$