Molecule FYI-1010438

A

Molecule Summary:

ID: FYI-1010438
Names:
InChIKey: SIIJIEHETPVQOH-BQLMQHJZSA-N
SMILES: COC3C=C/C=C\\C=C/CC(O)C(C)C(OC(=O)C(C)NC(=O)C1CCCCC1)/C(C)=C\\CCc2cc(O)cc(c2)NC(=O)C3

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010438 Edit

Molecule Structure InChIKey: SIIJIEHETPVQOH-BQLMQHJZSA-N

Molecule Structure SMILES String: COC3C=C/C=C\C=C/CC(O)C(C)C(OC(=O)C(C)NC(=O)C1CCCCC1)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010438
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    6.6308    6.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9119    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8082    4.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1172    2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8297    0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0809    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4544    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8276    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0790    0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0970    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7914    2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1004    4.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4854    4.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9967    5.6959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5686    7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5133    8.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1039    9.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7499    9.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8052    8.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2147    7.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1488    9.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7599    9.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328    8.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    8.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    6.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2165    7.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0138    6.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0074    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    7.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    9.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    6.9887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    4.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055    4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0486   10.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1828    0.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4756    1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4232    4.2072    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  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
  9  8  1  0  0  0  0
 10  9  2  3  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 35  1  0  0  0  0
 41 25  1  0  0  0  0
 42 18  1  0  0  0  0
 43 11  1  0  0  0  0
 44 43  1  0  0  0  0
 45  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010438-3D
FYIcenter.com

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