Molecule FYI-1001653

Home > Molecule

A

Molecule Summary:

ID: FYI-1001653
SMILES: COC(/C=C/CC(C)N)c1ccccc1O

Received at FYIcenter.com on: 2022-10-21

Molecule ID: FYI-1001653 Edit

Molecule Structure SMILES String: COC(/C=C/CC(C)N)c1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001653
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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 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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001653-3D
FYIcenter.com

 35 35  0  0  1  0  0  0  0  0999 V2000
    1.1303   -0.2254   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359   -0.0506   -0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    1.1049    0.7500 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4257    0.9962    2.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698    1.8688    2.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9467    1.6818    4.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5987    1.6685    4.0291 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1582    0.5463    3.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1436    1.5347    5.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706    1.1536    0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2165   -0.0401    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106   -0.0251    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2897    1.1840    0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    2.3787    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750    2.3580    0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826    3.5338    0.9204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311   -0.9441   -0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    0.7126   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -0.6528    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    1.9885    0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418    0.1155    2.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    2.7550    2.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800    2.5057    4.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108    0.7548    4.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9452    2.6276    3.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8315   -0.4401    3.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418    0.6626    2.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541    0.5592    3.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8827    0.6266    5.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.5355    5.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7008   -0.9948    0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1599   -0.9601    0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3748    1.1963    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232    3.3117    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1211    4.2640    1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  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
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 1735👍, 0💬