Molecule FYI-1002221

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A

Molecule Summary:

ID: FYI-1002221
Names:
InChIKey: JKEJEOJPJVRHMQ-JTQLQIEISA-N
SMILES: CCCCCCCC(=O)N[C@H]1CCOC1=O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002221 Edit

Molecule Structure InChIKey: JKEJEOJPJVRHMQ-JTQLQIEISA-N

Molecule Structure SMILES String: CCCCCCCC(=O)N[C@H]1CCOC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002221
FYIcenter.com

 37 37  0  0  1  0  0  0  0  0999 V2000
    8.1825    1.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983    5.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4318    3.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2900    5.6323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2900    3.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983   10.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983    9.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8460    2.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   11.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7442    8.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   13.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3976    1.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7442    6.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7341    2.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   14.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   16.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2761    4.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   10.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769   12.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926    3.7567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    9.3945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8199    8.1624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5626   12.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741   10.8398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8342    8.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1227    9.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424   13.4727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   14.7047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3150    0.8705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5132    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2484    6.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   14.7495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7283   13.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2134   16.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   17.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  5  4  1  6  0  0  0
  4 13  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002221-3D
FYIcenter.com

 37 37  0     1  0  0  0  0  0999 V2000
    5.4388    0.4215   -0.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7644   -1.2757    1.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0529    2.0496    0.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    0.1958   -0.1444 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695   -0.2458    0.2220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9654    0.3570   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295   -0.2993    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8531   -1.2474   -0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548   -0.2659    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4426    0.2988   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4890    0.3667   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324   -0.9851   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8016   -0.3616    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2498    0.8921    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8068   -0.2383    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0330    0.3378   -0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -0.6296    1.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9338    0.2448   -1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9575    1.4324   -0.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810   -2.2825   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -1.0333   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -0.1758    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499   -1.3788    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3019   -0.1344    1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2532   -1.3449    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3972    1.3706    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    0.1834   -1.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4931    1.4453   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4249    0.2479   -1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8733   -1.2387   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7814   -1.5224    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    0.9411   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7903   -1.3228   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8996   -0.0798    1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9925    0.1597   -1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1037    1.4172   -0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9434   -0.1286   -0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2023-02-28, 1447👍, 0💬