Molecule FYI-1004184

A

Molecule Summary:

ID: FYI-1004184
Names:
InChIKey: PTLMCGCUFMCXID-UHFFFAOYSA-M
SMILES: CC(=O)[O-].CC(C)(C(=O)O)c4ccc(C(O)CCCN3CCC(C(O)(c1ccccc1)c2ccccc2)CC3)cc4

Received at FYIcenter.com on: 2023-08-21

Molecule ID: FYI-1004184 Edit

Molecule Structure InChIKey: PTLMCGCUFMCXID-UHFFFAOYSA-M

Molecule Structure SMILES String: CC(=O)[O-].CC(C)(C(=O)O)c4ccc(C(O)CCCN3CCC(C(O)(c1ccccc1)c2ccccc2)CC3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004184
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
   14.8479    8.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4394    8.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7351    7.5069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   11.0342    2.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396    3.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9553    3.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1998    4.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1209    5.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
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 37 24  1  0  0  0  0
 38 14  1  0  0  0  0
 39  6  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004184-3D
FYIcenter.com

 83 85  0  0  1  0  0  0  0  0999 V2000
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    4.0583    1.2381   -0.5559 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-09-05, 403👍, 0💬