Molecule FYI-1005796

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A

Molecule Summary:

ID: FYI-1005796
Names:
InChIKey: VTTONGPRPXSUTJ-UHFFFAOYSA-N
SMILES: CN(C)CCc1c[nH]c2ccc(O)cc12

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005796 Edit

Molecule Structure InChIKey: VTTONGPRPXSUTJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCc1c[nH]c2ccc(O)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005796
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.5614    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3634    5.2068    0.0000 O   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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005796-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
    2.6626    2.9208    0.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8639    0.2745   -0.0399 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468   -2.3990   -0.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.5574    0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -1.0462    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -0.2523    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -0.2332   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8692   -1.1253   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0184   -2.3613    0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009    1.1295    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -0.6839   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949    1.5856   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6605    0.6156   -1.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7221    1.4413    0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110    0.6912   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768   -1.3072    1.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257    0.3213    1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818   -1.1483   -1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.4887   -1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582   -3.2741    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -3.2397   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107    1.8303    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9593   -1.3795   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7877   -0.2610   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2022    1.4163   -1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666    0.9356   -0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6960    1.9221    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436    2.1964    0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3885    1.1605    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116    1.0610   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    3.3958    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 31  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

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2023-11-23, 2178👍, 0💬