Molecule FYI-1012961

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A

Molecule Summary:

ID: FYI-1012961
Names:
InChIKey: JOBGNILNDVGZIV-UHFFFAOYSA-N
SMILES: COC(=O)C2CN(Cc1ccccc1)C(=O)CC2C

Received at FYIcenter.com on: 2024-11-01

Molecule ID: FYI-1012961 Edit

Molecule Structure InChIKey: JOBGNILNDVGZIV-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C2CN(Cc1ccccc1)C(=O)CC2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012961
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012961-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
   -3.0604   -2.0394    0.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898    2.5087    1.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732   -1.9433    0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    1.1404   -0.5099 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    0.7865    0.0893 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2005   -0.1976   -0.8518 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9309    0.3919   -1.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213    1.2652    1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    1.7204    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017    1.9707   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    1.4712   -0.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990   -1.4853   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773    0.5089   -0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295    0.7614    0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5845   -0.6379   -1.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185   -3.2775    1.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8892   -0.1327    1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440   -1.5321   -0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964   -1.2795    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7316    0.2940    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8662   -0.4675   -1.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3234   -0.3894   -1.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.0988   -2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326    0.4546    1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692    2.0897    1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7388    2.5881   -1.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639    2.6164    0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1960    1.6206   -1.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5047    2.4879   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472    1.4989   -2.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054    1.6523    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.8458   -2.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9140   -3.6117    1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066   -3.1354    1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4776   -4.0362    0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3979    0.0644    2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -2.4247   -1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9438   -1.9756    0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  2  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1431👍, 0💬