
 AC1LQMEV

 47 50  0  0  0  0  0  0  0  0999 V2000
    2.2377   -1.5823   -0.9540 C   0  0  0  0  0
    3.4014   -0.7239   -0.7491 N   0  0  0  0  0
    3.2391    0.0929    0.4573 C   0  0  0  0  0
    4.4663    0.9717    0.7206 C   0  0  0  0  0
    4.8989    1.7842   -0.5314 C   0  0  0  0  0
    6.2574    2.4774   -0.2764 C   0  0  0  0  0
    7.4648    1.5545   -0.2291 C   0  0  0  0  0
    8.5110    1.9473    0.2921 O   0  0  0  0  0
    7.3839    0.2046   -0.8846 C   0  0  0  0  0
    6.2843   -0.0888   -1.5893 C   0  0  0  0  0
    5.0940    0.8232   -1.7362 C   0  0  0  0  0
    3.7736    0.0516   -1.9562 C   0  0  0  0  0
    2.7429    1.0725   -2.4872 C   0  0  0  0  0
    2.7515    2.4151   -1.7882 C   0  0  0  0  0
    3.7528    2.7773   -0.8548 C   0  0  0  0  0
    3.5844    4.0054   -0.1913 C   0  0  0  0  0
    2.5191    4.8800   -0.4741 C   0  0  0  0  0
    1.5990    4.5393   -1.4561 C   0  0  0  0  0
    1.7110    3.3095   -2.1013 C   0  0  0  0  0
    2.4943    6.0294    0.2787 O   0  0  0  0  0
    1.2686    6.7530    0.2773 C   0  0  0  0  0
    4.4428    4.3726    0.8126 O   0  0  0  0  0
    8.4138   -0.7226   -0.8615 O   0  0  0  0  0
    9.2220   -0.7230    0.3103 C   0  0  0  0  0
    2.1171   -2.2652   -0.1055 H   0  0  0  0  0
    2.3664   -2.2098   -1.8423 H   0  0  0  0  0
    1.3070   -1.0157   -1.0606 H   0  0  0  0  0
    3.1073   -0.5637    1.3269 H   0  0  0  0  0
    2.3333    0.7090    0.4024 H   0  0  0  0  0
    5.2841    0.3251    1.0630 H   0  0  0  0  0
    4.2466    1.6419    1.5617 H   0  0  0  0  0
    6.2547    2.9853    0.6936 H   0  0  0  0  0
    6.4581    3.2252   -1.0543 H   0  0  0  0  0
    6.2473   -1.0459   -2.1059 H   0  0  0  0  0
    5.2955    1.4107   -2.6464 H   0  0  0  0  0
    3.9353   -0.6809   -2.7602 H   0  0  0  0  0
    2.9709    1.2622   -3.5455 H   0  0  0  0  0
    1.7325    0.6498   -2.4636 H   0  0  0  0  0
    0.7805    5.1947   -1.7326 H   0  0  0  0  0
    0.9669    3.0382   -2.8488 H   0  0  0  0  0
    1.3451    7.5382    1.0345 H   0  0  0  0  0
    0.4255    6.1098    0.5494 H   0  0  0  0  0
    1.1021    7.2361   -0.6900 H   0  0  0  0  0
    4.1312    5.2496    1.1124 H   0  0  0  0  0
    8.6250   -0.6026    1.2204 H   0  0  0  0  0
   10.0010    0.0412    0.2394 H   0  0  0  0  0
    9.7231   -1.6942    0.3665 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 15  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 23  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 22  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
AC1LQMEV

>  <PubChem CID>
1403661

>  <Formula>
C19H23NO4

>  <Molecular Weight>
329.396000

>  <IUPAC Name>


>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC

>  <Isomeric SMILES>
CN1CC[C@]23CC(=O)C(=C[C@@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC

>  <InChI Std. ID>
InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19+/m1/s1

>  <InChI Key>
INYYVPJSBIVGPH-VPZZIHKRSA-N

