Molecule FYI-1015289

A

Molecule Summary:

ID: FYI-1015289
Names:
InChIKey: WKXDGAOTCIQALH-UHFFFAOYSA-N
SMILES: CCOC(=O)CCC(=O)OC1CC(C)(C)N(CCOC(=O)CCC(=O)O)C(C)(C)C1

Received at FYIcenter.com on: 2025-07-29

Molecule ID: FYI-1015289 Edit

Molecule Structure InChIKey: WKXDGAOTCIQALH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)CCC(=O)OC1CC(C)(C)N(CCOC(=O)CCC(=O)O)C(C)(C)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015289
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   20.6115    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    3.5000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 15  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 29 10  1  0  0  0  0
  1 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015289-3D
FYIcenter.com

 65 65  0  0  0  0  0  0  0  0999 V2000
    9.3911    3.3245    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279    3.6402    0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9068    2.9102    1.9264 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4225    1.6421    1.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8416    1.1915    0.8303 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8084    0.8541    3.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -0.6127    2.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8757   -1.3732    4.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9918   -0.8812    5.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1212   -2.6789    3.7966 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5675   -3.4826    4.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0517   -3.2744    5.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5772   -4.0915    6.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254   -4.0033    6.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1989   -3.3137    7.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1171   -5.5153    6.3232 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6230   -6.3972    7.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670   -6.2594    8.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6872   -7.1941    9.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8439   -6.7405   10.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4643   -5.7538    9.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2289   -7.5983   11.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1593   -6.8080   12.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6063   -7.6218   13.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2497   -8.7709   13.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4545   -6.9429   14.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7846   -5.8660    5.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7983   -7.3062    5.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344   -5.8307    6.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3918   -4.9491    4.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5539    3.8583   -0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    2.2489   -0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1812    3.5988    0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    3.4053   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9580    4.7068    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380    1.3085    3.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8984    0.9267    3.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839   -1.0398    1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3315   -0.7240    2.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9682   -3.2341    5.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2658   -2.2063    5.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5952   -3.5432    4.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4481   -2.9531    6.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4859   -4.4617    5.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6481   -4.4714    7.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4071   -2.2428    7.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8038   -3.6198    8.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -3.4091    7.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7153   -6.3283    7.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4947   -7.4464    7.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0029   -6.4808    8.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1696   -5.2624    9.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7059   -8.5109   11.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3238   -7.8742   12.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6414   -5.9135   12.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0490   -6.4877   11.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6540   -6.0415   14.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9193   -8.0788    5.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957   -7.4325    4.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471   -7.5272    4.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6850   -6.6702    7.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6611   -5.9343    6.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6096   -4.8999    7.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3544   -5.1310    4.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9948   -5.1895    3.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-08-18, 595👍, 0💬