Molecule Editor

Molecule ID: FYI-1015324 Edit

Molecule Structure InChIKey: QMLFSWNGYGUVGF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCN1NCC(O)=CC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015324
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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  2  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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015324-3D
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.9636   -0.3446    2.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652   -1.3802    1.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -1.2529    1.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -1.2330    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235   -1.4486    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688   -2.7778    0.7170 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6880   -2.8291    1.8819 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2356   -4.1320    2.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685   -5.3220    1.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9973   -6.5807    2.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8683   -5.2107    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4971   -3.8885   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8540   -3.8291   -1.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460   -0.4559    3.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546    0.6743    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -0.4557    2.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097   -2.3808    2.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -0.2863    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395   -1.3425    2.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802   -2.0422    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6652   -0.2320    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747   -1.9383   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798   -0.6828    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907   -1.3341   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1450   -2.4629    2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0834   -4.2618    3.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210   -4.1136    2.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238   -6.4918    2.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706   -6.0719   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  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 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$