Molecule FYI-1007624

A

Molecule Summary:

ID: FYI-1007624
Names:
InChIKey: IZZKMFBIJVLUFA-OAHLLOKOSA-N
SMILES: Oc4ccc(C[C@H]3NCCc2cc1OCOc1cc23)cc4

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007624 Edit

Molecule Structure InChIKey: IZZKMFBIJVLUFA-OAHLLOKOSA-N

Molecule Structure SMILES String: Oc4ccc(C[C@H]3NCCc2cc1OCOc1cc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007624
FYIcenter.com

 21 24  0  0  1  0  0  0  0  0999 V2000
    8.4871    3.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6778    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3157    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  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21  9  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007624-3D
FYIcenter.com

 38 41  0     1  0  0  0  0  0999 V2000
    3.7202   -2.3981   -0.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2306   -0.5445    0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542   -0.9942   -0.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6046    1.9415   -0.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693    0.5460   -0.4063 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2217    0.3035   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139    1.3916   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017    2.8084   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    2.8989    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0498    0.0680    0.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7194   -1.0114   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    1.1621    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765   -1.1990   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4851   -0.2133    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -0.1423    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4389    0.7990    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8652   -1.4882    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0853   -1.9758    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726    0.5366    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992   -1.7506   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1528   -0.7382   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -0.0442   -1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085    3.4115    0.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539    3.2311   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1511    2.7448    1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    3.9121   -0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906    0.7779    1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6144   -0.8549    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6080    2.0976   -0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -1.8600   -0.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857    1.9863    0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1620    1.7936    0.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1314   -2.2848   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -2.3310   -0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   -2.4330    1.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5114    1.3284    0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4823   -2.7477   -0.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5370   -1.9246   -0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 21  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

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