Molecule FYI-1016677

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A

Molecule Summary:

ID: FYI-1016677
Names:
InChIKey: HRBCMLJNMCILOP-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(C)CCC(=O)OCCCC

Received at FYIcenter.com on: 2026-02-11

Molecule ID: FYI-1016677 Edit

Molecule Structure InChIKey: HRBCMLJNMCILOP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(C)CCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016677
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  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
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016677-3D
FYIcenter.com

 49 48  0     0  0  0  0  0  0999 V2000
    4.1478    0.1167   -0.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859    0.2795   -0.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511   -0.0043    1.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0352   -1.8471    0.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334   -2.3226   -0.5316 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -1.5681    0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -2.3059   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391   -1.0789   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.9809   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5055   -3.7015   -0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587    1.2393   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7868    1.8695   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574   -0.2677    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529   -0.9372    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170    0.8965    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3501    0.4748    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3407    2.0600    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2330    2.1527    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.3635   -0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6514    3.5617   -0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -0.6795    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974   -2.1598    1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3921   -2.5072    1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9266   -3.1018   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -1.9217   -0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -0.4439   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5027   -0.1341    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158   -0.8381   -1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278   -4.2524   -1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989   -4.2396    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184   -3.7431   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8635    1.7862   -1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854    0.3117   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6619    1.9759   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1167    2.6114    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4937    0.3172    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.8145    0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4355    0.3681    1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9763   -0.2812   -0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7194    1.5144    1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9157    3.0019    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3538    2.0291    1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9002    1.4311   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1604    2.9354   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613    2.9532   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9677    1.4406   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5714    3.7107   -1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6906    3.7425    0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0241    4.3085    0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
M  END
$$$$

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