Molecule FYI-1008594

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A

Molecule Summary:

ID: FYI-1008594
Names:
InChIKey: NWEAAGGIWDJYGZ-UHFFFAOYSA-N
SMILES: C#CCNC(=O)c1ccccc1OCC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008594 Edit

Molecule Structure InChIKey: NWEAAGGIWDJYGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNC(=O)c1ccccc1OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008594
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008594-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
   -1.2311    1.6042   -0.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    0.4566   -1.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7135   -1.2808   -0.1476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6481   -0.7041   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782    0.3338   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -1.9975    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838    0.0787    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -0.4594   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629    2.6113    0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3293   -2.2527    0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2593   -1.2146    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145    3.6782    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180   -1.1476   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7804   -0.2297    0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3277    0.5236    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400   -2.8396    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6220    0.8750    0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3636    3.0513    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2298    2.1894    1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6244   -3.2609    0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2768   -1.4142    0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731   -1.9671    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    3.2473    0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232    4.1144   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952    4.4754    0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -2.1466   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -0.7957   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    1.1920    1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  3  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 169👍, 0💬