Molecule FYI-1006065

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A

Molecule Summary:

ID: FYI-1006065
Names:
InChIKey: FSTVJNLNEVDORU-MFCSVHNESA-N
SMILES: CC=C(C)C(=O)OC1CC2CC(CC1N2C)O

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006065 Edit

Molecule Structure InChIKey: FSTVJNLNEVDORU-MFCSVHNESA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2CC(CC1N2C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006065
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
    5.6384   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -0.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384   -0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0151    2.0947    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.5373    0.1462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2785    1.1121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1384   -0.3627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8796    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3117    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5874   -0.1603    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5151    2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1384   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7573   -0.6749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0585    1.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5368   -0.8376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856    0.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6846    1.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642   -1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -1.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3168    1.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9260    0.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0408    0.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9782    3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8251    3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520    2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020   -0.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1753   -2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014   -3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   -1.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753   -3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1014   -2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 13  1  0  0  0  0
 11  2  1  6  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  6  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006065-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
   -0.8686   -0.2370   -0.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    2.2408   -0.1912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    1.8622    0.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009   -1.5442    0.0136 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.4199   -0.5891   -0.9509 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2135   -0.7101    1.2076 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4544    0.2744   -0.1296 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9455    0.1427    1.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115    0.2312   -1.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    0.1245    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4695    0.8913   -0.3953 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1452   -2.6983    0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8748    0.6702   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959   -0.0135   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919   -1.1871   -1.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113    0.5146    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6244    0.0274    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9256   -1.0969   -1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728   -1.3032    2.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    1.3150   -0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1961   -0.3528    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    1.1233    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547   -0.4520   -2.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    0.9881   -2.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6543    0.8099    1.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3346   -0.5701    0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983    0.9675   -0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368   -3.3768    0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -2.4438    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -3.2663   -0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580    2.6413    0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7163   -0.9992   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -2.0862   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3168   -1.3936   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    1.3821    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2909    0.7666    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9227   -0.1025    1.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7766   -0.9301    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

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2023-12-01, 991👍, 0💬