Molecule FYI-1005749

A

Molecule Summary:

ID: FYI-1005749
Names:
InChIKey: CTEVTHIFBCUTCT-NRBJTNBDSA-N
SMILES: C1C(CC2C3C(C1N2)O3)OC(=O)CC4=CC=CC=C4

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

Molecule ID: FYI-1005749 Edit

Molecule Structure InChIKey: CTEVTHIFBCUTCT-NRBJTNBDSA-N

Molecule Structure SMILES String: C1C(CC2C3C(C1N2)O3)OC(=O)CC4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005749
FYIcenter.com

 36 39  0     1  0  0  0  0  0999 V2000
    2.0000    0.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245   -1.0666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    2.9791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853    0.4386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6433    1.3783    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3580    1.0306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6168    1.9965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6297    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    1.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9696   -3.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5344   -4.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 22  1  1  0  0  0
  8 10  1  0  0  0  0
  8 23  1  6  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
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 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005749-3D
FYIcenter.com

 36 39  0     1  0  0  0  0  0999 V2000
   -4.9530    0.5241   -0.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2333   -0.5232    0.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377   -2.4490   -0.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345    0.9916    1.1515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9944   -0.4725   -0.5887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5646    0.8145   -1.1803 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5251   -0.4577    0.8425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8497    1.5645   -0.0873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0988   -1.0143    0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3522    1.2208   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0996   -0.2973    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -1.6471   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -1.7382    0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0867   -0.5341    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536   -0.5140   -0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023    0.5605    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    0.6009   -1.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849    1.6752    0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6521    1.6954   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9270   -1.3979   -1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685    0.8749   -2.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
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  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1612👍, 0💬