Molecule FYI-1016679

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Molecule Summary:

ID: FYI-1016679
Names:
InChIKey: LNURZJHJOUCYPF-UHFFFAOYSA-N
SMILES: CCCCOC(=O)C(C)CNCC(C)C(=O)O

Received at FYIcenter.com on: 2026-02-12

Molecule ID: FYI-1016679 Edit

Molecule Structure InChIKey: LNURZJHJOUCYPF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)C(C)CNCC(C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016679
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   14.5492    1.4000    0.0000 C   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
   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 O   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
    8.4871    3.5000    0.0000 O   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
    7.2747    0.0000    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
    4.8497    1.4000    0.0000 N   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
    2.4249    0.0000    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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  8  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  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016679-3D
FYIcenter.com

 40 39  0  0  1  0  0  0  0  0999 V2000
    3.2949   -2.1943   -1.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -1.5735   -1.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -0.0659   -1.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039    0.5364   -1.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083    1.9442   -2.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811    2.7247   -1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7598    2.3951   -0.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9289    4.0126   -1.9850 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3637    5.1953   -1.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    4.0470   -2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0202    2.9457   -2.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    2.9918   -2.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0836    1.8316   -3.7156 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6090    1.8471   -5.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5999    1.9190   -3.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2343    2.9636   -3.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2168    0.7220   -3.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009   -3.2718   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -2.0425   -1.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640   -1.7567   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649   -2.0609   -2.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341   -1.7757   -0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    0.4252   -0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    0.1435   -2.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3225    0.0873   -2.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6006    0.3205   -1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5316    4.0511   -3.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357    5.2046   -0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2700    5.1465   -1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    6.1505   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8805    3.9915   -1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7925    5.0018   -2.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6563    3.0306   -3.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    2.9364   -1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8143    3.9504   -3.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7901    0.8864   -3.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8818    2.7858   -5.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5226    1.7315   -5.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0525    1.0282   -5.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6148   -0.0426   -3.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  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 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

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2026-03-22, 614👍, 0💬