Molecule FYI-1001087

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A

Molecule Summary:

ID: FYI-1001087
SMILES: CCCCOc1ccc2c(c1)O[C@@]1(CC2)CNCC1

Received at FYIcenter.com on: 2021-12-12

Molecule ID: FYI-1001087 Edit

Molecule Structure SMILES String: CCCCOc1ccc2c(c1)O[C@@]1(CC2)CNCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001087
FYIcenter.com

 19 21  0  0  1  0  0  0  0  0999 V2000
   13.1276    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.5306    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  1  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  6  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001087-3D
FYIcenter.com

 42 44  0  0  1  0  0  0  0  0999 V2000
    0.8037   -0.4178   -1.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -0.4620   -1.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319    0.9304   -1.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4435    0.8579   -1.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089    2.1676   -1.8385 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3697    2.2347   -2.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    1.1332   -2.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5716    1.3045   -2.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1366    2.5792   -2.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3103    3.6886   -2.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.5130   -1.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7789    4.9785   -2.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189    5.1752   -2.6149 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0687    4.0971   -2.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6128    2.7269   -2.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0948    5.2792   -4.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0314    6.7200   -4.4588 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8981    7.3226   -3.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831    6.5715   -2.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825   -1.4247   -1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    0.2055   -2.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5377   -0.0102   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453   -0.8988   -2.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428   -1.1251   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987    1.3779   -0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    1.6011   -2.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6606    0.4359   -2.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594    0.2129   -1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    0.1201   -2.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1964    0.4309   -2.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2982    4.3797   -1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    4.1168   -0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1007    4.2734   -2.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539    1.9558   -1.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8370    2.5864   -3.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.7688   -4.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0120    4.8758   -4.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0718    7.0276   -4.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7183    8.3969   -3.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9488    7.1830   -3.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    7.0894   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4731    6.5375   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 31  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 2319👍, 0💬