Molecule FYI-1007193

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Molecule Summary:

ID: FYI-1007193
Names:
InChIKey: ROBXZHNBBCHEIQ-UHFFFAOYSA-N
SMILES: CCOC(=O)C(C)N

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007193 Edit

Molecule Structure InChIKey: ROBXZHNBBCHEIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)C(C)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1007193
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007193-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
    0.8789    0.2925   -0.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938   -1.6066    0.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574   -0.4404   -0.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630    0.3901   -0.3972 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5743    1.6103    0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -0.4487   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -0.3733    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595    0.5760   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638    0.6919   -1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    1.3249    1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7122    2.2745    0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    2.1924    0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982   -0.6784    1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2137   -1.2595   -0.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -1.2144   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4835    0.1022   -0.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159    0.0985    0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.9044   -1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564    1.4761    0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2024-02-18, 830👍, 0💬