Molecule FYI-1015403

A

Molecule Summary:

ID: FYI-1015403
Names:
InChIKey: ZPUCINDJVBIVPJ-LJISPDSOSA-N
SMILES: COC(=O)[C@H]2[C@@H](OC(=O)c1ccccc1)C[C@@H]3CC[C@H]2N3C

Received at FYIcenter.com on: 2025-08-31

Molecule ID: FYI-1015403 Edit

Molecule Structure InChIKey: ZPUCINDJVBIVPJ-LJISPDSOSA-N

Molecule Structure SMILES String: COC(=O)[C@H]2[C@@H](OC(=O)c1ccccc1)C[C@@H]3CC[C@H]2N3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015403
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    4.7313    6.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059    7.8557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    8.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    9.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9797    9.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851    8.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    6.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    6.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9097    6.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7708    4.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9669    4.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1344    4.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9955    2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1915    2.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8279    2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    6.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    6.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0913    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  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  1  6  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
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 17 16  1  0  0  0  0
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 18 13  1  0  0  0  0
  7 19  1  6  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015403-3D
FYIcenter.com

 43 45  0     1  0  0  0  0  0999 V2000
   -0.6923   -0.1549    0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    2.7599    0.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983    1.7946   -0.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4554   -2.3104    0.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998   -0.3456   -0.8103 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.0908    0.1240    0.5870 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5793   -1.6811   -0.7568 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6155    0.5331    0.8254 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4745   -1.1044    1.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264   -2.3020    0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563   -1.4497   -0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6422   -0.6278    0.5429 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5776   -0.3774   -1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    1.7488   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463   -1.1061    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    3.9831   -0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9892   -0.4858    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396   -1.1079   -0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2455    0.6932    0.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2013   -0.5255   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5074    1.2756    0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4853    0.6662   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627    0.9639    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085   -2.2915   -1.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4706    0.8389    1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -1.1442    2.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505   -1.1078    1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -2.8803    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109   -2.9750    1.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -0.9525   -1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924   -2.4399   -0.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616   -1.2861    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033   -0.7386   -2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438   -1.0098   -0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938    0.6360   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563    4.3820   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    3.8209   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972    4.7053   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7293   -2.0340   -1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060    1.1805    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9626   -0.9994   -1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7299    2.2020    1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4679    1.1195   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

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2025-11-06, 479👍, 0💬