Molecule FYI-1004680

A

Molecule Summary:

ID: FYI-1004680
Names:
InChIKey: LFYIQJXLMROGNY-UHFFFAOYSA-N
SMILES: CCC(C)[N-]CCCCC(=O)NCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004680 Edit

Molecule Structure InChIKey: LFYIQJXLMROGNY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)[N-]CCCCC(=O)NCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004680
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  3  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  9  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004680-3D
FYIcenter.com

 49 49  0  0  1  0  0  0  0  0999 V2000
    7.2190    1.4764   -1.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6483    2.7839   -2.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0290    4.0281   -1.7048 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5108    5.2773   -2.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4380    3.9203   -0.3638 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.8275    4.9929    0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3663    4.6736    1.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0192    3.4385    2.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5411    3.4928    2.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0287    4.6307    3.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8053    4.6708    4.7512 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    5.5852    2.8780 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2756    6.7597    3.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7749    8.0316    2.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4058    8.3090    2.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    9.5038    2.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8543   10.4451    1.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3509   11.6110    1.2785 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2285   10.1911    1.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581   10.9853    1.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9334   12.2119    0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6726    8.9810    2.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9126    0.6446   -2.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593    1.2635   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    1.5043   -1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5556    2.6909   -2.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    2.9114   -3.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248    4.0842   -1.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    5.3018   -2.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703    5.3075   -3.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8549    6.1966   -1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490    5.9396    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9049    5.1867    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2767    4.5316    1.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5592    5.5472    2.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186    2.5404    2.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162    3.3241    3.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9772    3.5516    1.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9231    2.5651    3.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7912    5.5447    1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    6.6998    3.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.7659    4.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    7.5887    3.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8755    9.6786    2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812   11.5483    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8733   12.6824    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4423   12.9005    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435   12.0507   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7426    8.7850    2.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  2  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END
$$$$

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2023-09-25, 2227👍, 0💬