
 Lopac-D-149

 41 44  0  0  0  0  0  0  0  0999 V2000
    3.2186    4.0795    0.8687 C   0  0  0  0  0
    4.2604    3.3217    0.2747 O   0  0  0  0  0
    4.7333    3.8432   -0.9743 C   0  0  0  0  0
    5.6923    2.8048   -1.5919 C   0  0  0  0  0
    6.9915    2.7431   -0.8420 C   0  0  0  0  0
    7.4546    3.8125   -0.1763 C   0  0  0  0  0
    8.4678    3.7502    0.9193 C   0  0  0  0  0
    7.9481    4.8112    1.8940 C   0  0  0  0  0
    6.7458    5.4193    1.2864 N   0  0  0  0  0
    6.8273    5.1900   -0.1781 C   0  0  0  0  0
    5.4293    5.2100   -0.8659 C   0  0  0  0  0
    7.7443    6.2250   -0.8701 C   0  0  0  0  0
    8.0848    7.3933   -0.3008 C   0  0  0  0  0
    7.5946    7.7818    1.0730 C   0  0  0  0  0
    6.5527    6.8182    1.6555 C   0  0  0  0  0
    8.9763    8.3918   -0.9632 C   0  0  0  0  0
    9.5863    7.9695   -2.1889 O   0  0  0  0  0
    9.2882    6.8281   -2.8324 C   0  0  0  0  0
    9.8346    6.5623   -3.9028 O   0  0  0  0  0
    8.2638    5.8878   -2.2408 C   0  0  0  0  0
    2.4116    4.2653    0.1538 H   0  0  0  0  0
    3.5999    5.0232    1.2663 H   0  0  0  0  0
    2.8137    3.5030    1.7052 H   0  0  0  0  0
    3.8668    3.9342   -1.6420 H   0  0  0  0  0
    5.8942    3.0352   -2.6440 H   0  0  0  0  0
    5.2225    1.8149   -1.5479 H   0  0  0  0  0
    7.4562    1.7689   -0.7203 H   0  0  0  0  0
    8.5172    2.7646    1.3915 H   0  0  0  0  0
    9.4585    4.0222    0.5394 H   0  0  0  0  0
    8.7484    5.5335    2.0932 H   0  0  0  0  0
    7.6792    4.3562    2.8540 H   0  0  0  0  0
    4.7713    5.9329   -0.3725 H   0  0  0  0  0
    5.5224    5.5890   -1.8920 H   0  0  0  0  0
    8.4597    7.8305    1.7461 H   0  0  0  0  0
    7.1591    8.7877    1.0388 H   0  0  0  0  0
    6.5311    6.9190    2.7481 H   0  0  0  0  0
    5.5567    7.1385    1.3257 H   0  0  0  0  0
    9.7953    8.6584   -0.2864 H   0  0  0  0  0
    8.4151    9.3075   -1.1790 H   0  0  0  0  0
    7.4312    5.8477   -2.9506 H   0  0  0  0  0
    8.7511    4.9073   -2.2147 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 15  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
Lopac-D-149

>  <PubChem CID>
6603805

>  <Formula>
C16H21NO3

>  <Molecular Weight>
275.348000

>  <IUPAC Name>


>  <XlogP>
0.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1CC=C2CCN3C2(C1)C4=C(CC3)COC(=O)C4

>  <Isomeric SMILES>
CO[C@@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4

>  <InChI Std. ID>
InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m1/s1

>  <InChI Key>
ALSKYCOJJPXPFS-CJNGLKHVSA-N

