73075946
  -OEChem-04252423242D

 48 51  0     1  0  0  0  0  0999 V2000
    3.9890    2.5358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080   -0.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818   -1.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8894   -0.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4449    2.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0946    3.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8955   -3.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3467   -0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256    1.5532    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.6252   -3.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -0.2784    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4167    0.2808    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4668    0.5873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6924    1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7385   -0.2074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5156    0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908   -1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5418    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9151   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2035    1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8303    2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4566    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7342   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8752   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0712    3.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.8117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062    0.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873    1.8620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    1.3258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3049   -0.4596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754   -1.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6095   -1.7989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5714    2.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4767   -1.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535   -1.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535   -0.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8155    0.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7711   -1.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4864   -0.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -0.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6576   -3.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1451   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5545    3.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4595    3.9098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5878    3.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 19  1  0  0  0  0
  4 26  1  0  0  0  0
  5 24  1  0  0  0  0
  5 27  1  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
 10 25  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73075946

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
619

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAUAAAADSzhmAYyzoLQBACIAiTSWACCCAAlIgAgiIEObMkeZjLE9ZudMShn0BnY6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 8-(aminocarbonyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-(carbamoyloxymethyl)-6,9-dimethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21N3O7/c1-23-12-5-8(15(21)24-2)4-11-13(12)9(7-26-16(18)22)17(25-3)14-10(19-14)6-20(11)27-17/h4-5,9-10,14,19H,6-7H2,1-3H3,(H2,18,22)

> <PUBCHEM_IUPAC_INCHIKEY>
BZGCXOINBLNVLE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
379.13795002

> <PUBCHEM_MOLECULAR_FORMULA>
C17H21N3O7

> <PUBCHEM_MOLECULAR_WEIGHT>
379.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC2=C1C(C3(C4C(N4)CN2O3)OC)COC(=O)N)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC2=C1C(C3(C4C(N4)CN2O3)OC)COC(=O)N)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
132

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.13795002

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  3
15  18  3
16  17  8
16  19  8
17  20  8
19  22  8
13  2  3
20  23  8
22  23  8
11  8  3

$$$$