68983811
  -OEChem-05112403452D

 54 55  0     0  0  0  0  0  0999 V2000
    8.9904   -2.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224   -2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340    0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0019    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7286   -0.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4018    0.1725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856    1.5324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    1.5232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0089    0.4335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071    1.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.6359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9021   -1.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323   -0.2142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2863    0.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024   -2.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7200   -2.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3424   -2.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0419    0.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2721    1.2892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4260    1.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    1.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4662    1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6899    0.4522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598   -1.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325    0.1113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.9812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.9812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  2  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  2  0  0  0  0
 12 32  1  0  0  0  0
 13 20  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  2  3  0  0  0
 18 45  1  0  0  0  0
 19 22  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68983811

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
501

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAAAAAADCzBmAYyBoMABACIAiFSEACCCAAgIAAIiAAOiMgNJiKEMRqAMCIkxhGKqYeAwPAOoAABAAAQQABAAAIAACCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-N,N-diisopropyl-prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-<I>N</I>,<I>N</I>-di(propan-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-N,N-diisopropyl-acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H29NO3/c1-14(2)22(15(3)4)21(23)10-8-16-7-9-17-12-19(24-5)20(25-6)13-18(17)11-16/h8,10-15H,7,9H2,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
SOHIRZZHIBWOHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
343.21474379

> <PUBCHEM_MOLECULAR_FORMULA>
C21H29NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
343.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N(C(C)C)C(=O)C=CC1=CC2=CC(=C(C=C2CC1)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N(C(C)C)C(=O)C=CC1=CC2=CC(=C(C=C2CC1)OC)OC

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.21474379

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  21  8
18  20  1
19  22  8
21  23  8
22  23  8
9  11  8
9  19  8

$$$$