Molecule FYI-1000335

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Molecule Summary:

ID: FYI-1000335
SMILES: C[C@@](c1cc(cc(c1)F)F)(C(=O)OC)NC[C@H]2CCCO2

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000335 Edit

Molecule Structure SMILES String: C[C@@](c1cc(cc(c1)F)F)(C(=O)OC)NC[C@H]2CCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000335
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
    5.9248    5.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9248    4.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9248    2.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6975    2.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6975    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1521    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9713    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3794    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4702    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1521    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3794    4.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5011    2.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3794    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6975    3.5429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4702    4.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    4.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086    1.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    2.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  6  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000335-3D
FYIcenter.com

 40 41  0  0  1  0  0  0  0  0999 V2000
    6.0276    3.9186    6.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3637    2.7075    5.3234 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9330    1.3479    5.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0648    1.2593    6.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105    0.0241    6.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0546   -1.1568    6.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344   -1.0898    5.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    0.1359    5.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830   -2.2279    5.2483 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6992   -0.0093    7.7394 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335    2.8700    5.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0447    3.4937    4.9564 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062    2.3358    6.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    2.5596    7.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739    2.8360    3.8458 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8229    2.9246    3.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7924    3.2038    1.7609 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0285    2.1720    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    2.8001    0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9975    4.2744    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1565    4.4796    1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8799    3.8801    7.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5999    4.8651    5.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1080    3.9636    5.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5635    2.1384    7.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4923   -2.1104    6.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5107    0.1317    4.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980    2.1514    8.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4657    2.0452    6.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    3.6313    7.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    3.6802    3.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3720    1.9945    3.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3741    3.7496    3.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8277    3.2765    1.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9987    1.1798    1.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035    2.0666   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0343    2.5885    1.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    2.4479   -0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1794    4.9020    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2466    4.5844   -0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 16  1  0  0  0  0
 17 34  1  6  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2524👍, 0💬