Molecule FYI-1014374

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A

Molecule Summary:

ID: FYI-1014374
Names:
InChIKey: KDRVBAWPXBUFCR-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCNCC(C)C(=O)OC

Received at FYIcenter.com on: 2025-04-08

Molecule ID: FYI-1014374 Edit

Molecule Structure InChIKey: KDRVBAWPXBUFCR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCNCC(C)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014374
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   12.7941    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817    4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3693    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1568    4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    3.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    5.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5196    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    3.6861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    1.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    2.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    3.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    0.0000    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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014374-3D
FYIcenter.com

 40 39  0  0  1  0  0  0  0  0999 V2000
    2.4089    1.1598   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1878    1.7444    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.6705    0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5281    1.3411    2.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0302    0.4105    3.0295 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3888    0.2893    3.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0802    0.2766    2.0113 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8953    0.3191    4.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192    0.3647    4.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8928    0.5151    5.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3636    0.5238    5.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9221    0.6837    7.3228 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5246   -0.4559    8.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4381    0.7459    7.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1174    0.1709    6.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9401    1.5008    8.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3670    1.6039    8.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0089    1.9640   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    0.5548   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504    0.5312   -1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232    2.3996    0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951    2.3747   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.0084    0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775    0.0320    1.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    1.9956    2.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3277    1.9839    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5144   -0.5552    4.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4961    1.2289    4.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777    1.2079    3.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8212   -0.5556    4.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5434   -0.2666    6.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7343    1.3556    5.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7455   -0.4029    5.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    1.6382    7.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8558   -1.4235    7.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4410   -0.4973    8.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9814   -0.3291    9.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6732    2.2199    9.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7105    2.0907    7.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8269    0.6154    8.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1097👍, 0💬