Molecule FYI-1006043

A

Molecule Summary:

ID: FYI-1006043
Names:
InChIKey: QUFIPAVCOVTMDD-UHFFFAOYSA-N
SMILES: C=CC(=O)N3CCCC2(CC(=O)c1ccccc1O2)C3

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006043 Edit

Molecule Structure InChIKey: QUFIPAVCOVTMDD-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)N3CCCC2(CC(=O)c1ccccc1O2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006043
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    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
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 20  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006043-3D
FYIcenter.com

 37 39  0     1  0  0  0  0  0999 V2000
    0.3403    0.5237    1.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734    1.5348   -1.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6293   -1.7635   -1.1574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0976    0.4027   -0.4505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    1.5455    0.1970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8543    2.5858    0.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    0.9410   -0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115    2.0214    1.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    2.2466   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498    1.3985    0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719    1.2530   -0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3290   -0.3451    0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -0.0668   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3707   -0.9547   -0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -1.5685    1.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2535   -1.0155   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6354   -1.4669   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331   -2.5174    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -2.2427    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2251   -2.5120   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0244    3.4627    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254    2.9320    1.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    1.7094   -1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794    0.1534   -1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    1.2640    2.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8192    2.8193    1.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756    2.7904    0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0244    2.9589   -1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9021    0.9835    0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1856    2.1665   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6330   -1.7944    2.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -0.8153   -1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0564   -1.0371    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3544   -3.4717    1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -2.9833   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1423   -2.9171   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334   -2.9859   -1.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  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 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  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
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1176👍, 0💬