Molecule FYI-1016667

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A

Molecule Summary:

ID: FYI-1016667
Names:
InChIKey: ZGDDUSHYJBYZHS-UHFFFAOYSA-N
SMILES: CCCCOC(=O)C(C)CN(CCO)C(C)CC(=O)O

Received at FYIcenter.com on: 2026-02-09

Molecule ID: FYI-1016667 Edit

Molecule Structure InChIKey: ZGDDUSHYJBYZHS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)C(C)CN(CCO)C(C)CC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016667
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
  6 17  1  0  0  0  0
  5 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016667-3D
FYIcenter.com

 47 46  0  0  1  0  0  0  0  0999 V2000
    1.0372   -5.3669    5.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541   -5.9696    4.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -5.2003    3.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3073   -5.8700    3.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9104   -5.2330    1.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676   -4.5515    2.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4840   -4.2467    3.2386 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7398   -4.1950    0.8183 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3205   -2.7684    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790   -4.3168    0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8510   -5.6586    1.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023   -6.6871    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8704   -6.5390   -1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3700   -7.6149   -1.9718 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3468   -5.6208    1.4146 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7535   -4.6331    2.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9371   -7.0113    1.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4457   -7.0121    1.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1893   -6.2833    1.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9174   -7.9652    2.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165   -5.9580    5.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3083   -5.3568    4.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1742   -4.3437    5.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860   -7.0110    4.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461   -5.9911    5.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742   -4.1564    3.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163   -5.1724    2.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120   -6.9057    2.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881   -5.9182    3.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3761   -4.8592    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661   -2.0626    1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2368   -2.7151    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107   -2.4314   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5666   -3.6195    1.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7326   -3.9377    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3072   -6.7563    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6782   -7.6841    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9614   -6.5422   -1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963   -5.6105   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6907   -8.4455   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8077   -5.2697    0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2671   -4.8864    3.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5112   -3.5981    2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8344   -4.6368    2.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7197   -7.7548    0.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028   -7.3616    2.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2273   -8.5000    3.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
$$$$

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2026-03-22, 674👍, 0💬