Molecule FYI-1010736

A

Molecule Summary:

ID: FYI-1010736
Names:
InChIKey: BAEJBRCYKACTAA-FXUNGEPLSA-N
SMILES: CCC4CN3CC[C@]2(Nc1cccc(OC)c1C2=O)[C@@H]3CC4/C(=C\\OC)C(=O)OC

Received at FYIcenter.com on: 2024-07-09

Molecule ID: FYI-1010736 Edit

Molecule Structure InChIKey: BAEJBRCYKACTAA-FXUNGEPLSA-N

Molecule Structure SMILES String: CCC4CN3CC[C@]2(Nc1cccc(OC)c1C2=O)[C@@H]3CC4/C(=C\OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1010736
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   11.0970    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4597    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686    7.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2069    6.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2473    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2473    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4597    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4597    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2473    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8224    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0970    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    7.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128    8.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    6.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5821    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    7.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    8.5756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    5.2579    0.0000 N   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
  8 20  1  6  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 23  1  0  0  0  0
 30  8  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-25, 165👍, 0💬