Molecule FYI-1014191

A

Molecule Summary:

ID: FYI-1014191
Names:
InChIKey: FTVFSZDHKSMGIW-UHFFFAOYSA-N
SMILES: COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C

Received at FYIcenter.com on: 2025-03-10

Molecule ID: FYI-1014191 Edit

Molecule Structure InChIKey: FTVFSZDHKSMGIW-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014191
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    9.5121    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 C   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  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014191-3D
FYIcenter.com

 51 51  0     0  0  0  0  0  0999 V2000
    6.3667    0.1813   -0.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    0.2350   -0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3529   -0.9869    1.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2222   -0.3324    0.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1233    0.9966   -1.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.1149    0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914    1.2377    0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9638   -1.2154   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    0.7389    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -1.1277   -0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3930   -0.3657   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1277    0.4751   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8744    2.2119    1.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664    2.0531   -0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885   -1.9996   -1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -2.0734    1.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0093   -0.1553    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538   -0.2559    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5894    0.2579   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8846   -0.2533    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1194    0.2271   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4776    0.0361   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4691    1.5820    0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6474    0.3564    1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7685   -2.1358   -1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2971   -0.6837   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280   -1.0536    0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    1.5546   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277    0.2682   -1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546    2.7291    1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746    1.6822    2.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    2.9893    1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551    2.5925   -1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3527    2.8081   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    1.4307   -1.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -2.9583   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -1.4666   -2.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0952   -2.2609   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -1.6277    1.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233   -3.0672    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072   -2.2209    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545   -1.2443    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600    0.2169    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -0.5577   -1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719    1.3534   -0.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382   -0.0590   -1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8871   -1.3496    0.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9499    0.0844    1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6311    1.1161   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5186   -0.2804   -1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2705   -0.4751    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 44  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  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 17  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 497👍, 0💬