59200756
  -OEChem-04232404512D

 39 41  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    3.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2549    2.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720    3.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6225    3.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59200756

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
332

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAAAAAADAzhngY+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-benzyloxy-4,6-dimethoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4,6-dimethoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,6-dimethoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
4,6-dimethoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,6-dimethoxy-7-phenylmethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-benzoxy-4,6-dimethoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17NO3/c1-20-16-8-9-19-15-11-18(17(21-2)10-14(15)16)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WTTOZMXQFMTGBK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
295.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
295.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2C=C(C(=CC2=NC=C1)OCC3=CC=CC=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2C=C(C(=CC2=NC=C1)OCC3=CC=CC=C3)OC

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
11  14  8
13  16  8
13  17  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
4  15  8
4  6  8
5  11  8
5  6  8
5  9  8
6  10  8
7  10  8
7  8  8
8  9  8

$$$$