Molecule FYI-1013937

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A

Molecule Summary:

ID: FYI-1013937
Names:
InChIKey: QXUKSWCXRDEVOM-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)c1ccc(O)cc1

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013937 Edit

Molecule Structure InChIKey: QXUKSWCXRDEVOM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013937
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.5746    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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    2.8000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013937-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
   -1.1157    1.7142    0.4491 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592   -0.5622   -0.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5979   -0.4807   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0426   -0.3399   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835   -1.6566   -0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020   -0.0019    1.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4494    0.7858   -1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529    0.5758    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.2757    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072    1.2941   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   -1.0240    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    1.0125   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   -1.3054    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283   -0.2873   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7772   -1.5909   -0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3631   -1.9235   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -2.4836    0.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328    0.9672    1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1570   -0.7583    2.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5961    0.0338    1.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1622    1.7816   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    0.6408   -2.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5385    0.8083   -1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2218   -1.3751   -0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    2.3118   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -1.8394    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    1.8141   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8722   -2.3181    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390    0.2570   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 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
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$

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2025-02-16, 888👍, 0💬