Molecule FYI-1005836

A

Molecule Summary:

ID: FYI-1005836
Names:
InChIKey: RPDJZPVRUNIVCU-UHFFFAOYSA-N
SMILES: CC(C)(C)C(=O)NC3CC(=O)N(c2ccc1OCCOc1c2)C3

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005836 Edit

Molecule Structure InChIKey: RPDJZPVRUNIVCU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)C(=O)NC3CC(=O)N(c2ccc1OCCOc1c2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005836
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.9844    9.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844    8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8968    9.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3844    7.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720    6.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    8.6319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    8.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    7.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389    7.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    6.2485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    1.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    6.5396    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 16  1  0  0  0  0
 23 12  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005836-3D
FYIcenter.com

 45 47  0     1  0  0  0  0  0999 V2000
    0.2296    3.3060   -0.8393 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551   -1.0581    1.6283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5365   -1.9019    0.9837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1412   -0.4235   -0.9005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    1.3021    0.4366 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9149    0.3731    0.1451 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    1.1600    1.1467 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8336    0.6242    1.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9681    2.5730    0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314    2.4615   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3688   -1.4025   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7384   -0.6940    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    0.8512    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2267   -0.4114   -1.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2719   -2.5496   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2679   -1.9923   -1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -0.3213    0.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068    1.5873   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992   -0.7546    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8812   -0.0322   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910    1.1473   -1.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9538   -2.0584    0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4008   -1.7861   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    1.1610    2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049   -0.4630    1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833    0.9099    2.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    2.9381   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8521    3.2723    1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    0.5868   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9733    0.0696   -0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7576   -0.9163   -2.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6229    0.3849   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0744   -2.1757    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7387   -3.0750   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7014   -3.2861    0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -1.2135   -2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6963   -2.5814   -2.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040   -2.6473   -1.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2365   -0.9116    1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882    2.5055   -1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9981    1.7214   -1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4388   -1.3802    1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1987   -3.0863    1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8842   -2.4357   -1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4775   -1.9557   -0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 20  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 354👍, 0💬