Molecule FYI-1002108

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A

Molecule Summary:

ID: FYI-1002108
Names:
InChIKey: UVEYIAZFKNOVSZ-UHFFFAOYSA-N
SMILES: O=C(NC1CCCC(O)COC1)OCc2ccccc2

Received at FYIcenter.com on: 2023-01-30

Molecule ID: FYI-1002108 Edit

Molecule Structure InChIKey: UVEYIAZFKNOVSZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC1CCCC(O)COC1)OCc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002108
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5978    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9858    2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8381    3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6554    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8678    5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446    5.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1567    5.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3044    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002108-3D
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
    4.5858    2.0972    0.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622    1.0627    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908    0.6560    0.7668 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    1.5547    1.7473 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6482    0.7929    2.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016    1.6621    4.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161    2.7230    4.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930    4.1543    4.0780 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8321    5.0495    4.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    4.3702    2.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597    3.5870    1.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    2.5570    1.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931    0.1753   -0.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2896    0.4986   -1.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2032   -0.6967   -1.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9804   -1.7183   -2.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8091   -2.8413   -2.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637   -2.9538   -1.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0921   -1.9442   -1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643   -0.8236   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116   -0.1765    0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1466    2.1075    2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612    0.0461    3.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841    0.2216    2.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165    0.9852    4.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305    2.1243    3.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2406    2.4478    4.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363    2.7361    5.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038    4.4199    4.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7244    4.7940    4.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721    4.2062    2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    5.4236    2.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    3.0240    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    2.0185    0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    1.3825   -1.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    0.7176   -2.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562   -1.6474   -3.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6282   -3.6318   -3.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048   -3.8311   -1.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9121   -2.0327   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4457   -0.0454   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2023-07-11, 1410👍, 0💬