Molecule Editor

Molecule ID: FYI-1016630 Edit

Molecule Structure InChIKey: KWGRBVOPPLSCSI-WPRPVWTQSA-N

Molecule Structure SMILES String: CN[C@@H](C)[C@H](O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016630
FYIcenter.com

 12 12  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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  1  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
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
  3 10  1  6  0  0  0
  2 11  1  6  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016630-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
   -1.1049   -0.8064   -1.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    0.0085    0.3213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7436   -0.0866    0.6924 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8642    0.1875   -0.5484 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6213    0.1641   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037   -1.4751    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    1.3370    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.0297   -0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535    1.3145   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239    1.3155    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6813   -1.0510   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    0.1217    0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5255    0.6531    1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713    1.1587   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983   -1.5616    1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -1.6658    2.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396   -2.2738    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4130   -0.7226   -0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    2.2706    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283   -1.9606   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184   -0.6946   -1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439    1.4059   -1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237    2.1323    0.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5394    1.4590   -0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343    2.2283    0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364   -1.9811   -0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025    0.1048    0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$