Molecule FYI-1007783

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A

Molecule Summary:

ID: FYI-1007783
Names:
InChIKey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(N)cc1

Received at FYIcenter.com on: 2024-03-16

Molecule ID: FYI-1007783 Edit

Molecule Structure InChIKey: BLFLLBZGZJTVJG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c1ccc(N)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007783
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007783-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -2.1131   -0.3568    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062    1.9089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1634   -0.7318   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082    0.3619    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960    1.3466   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669   -0.9861    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8017   -0.3646   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    0.9834   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8137   -1.3494    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959    0.7406    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -0.1131   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535   -1.4395   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381    2.4025   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676   -1.7866    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033    1.7599   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0812   -2.4031    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7946    0.4601    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929    0.4592   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3367   -1.2901   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9769   -2.0312   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9785   -2.0303    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242   -1.7089    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800   -0.0182   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-03-23, 153👍, 0💬