67265140
  -OEChem-04252422192D

 50 52  0     0  0  0  0  0  0999 V2000
    3.1350    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6155    6.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270    3.5853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8740   11.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270    5.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5331    5.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5331    4.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4756    7.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3474    6.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    8.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2076    7.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    8.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1960    8.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    2.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    3.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3546    6.0547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    8.4683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7481    6.8808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3171    9.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7293    8.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4110   12.2383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371   12.2383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8740   11.3083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  5 50  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 25  2  0  0  0  0
 20 37  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 27  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 28  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67265140

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
433

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADAzhngY+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonia;7-benzyloxy-6-methoxy-4-phenoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;6-methoxy-4-phenoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;6-methoxy-4-phenoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
azane;6-methoxy-4-phenoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;6-methoxy-4-phenoxy-7-phenylmethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;7-benzoxy-6-methoxy-4-phenoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19NO3.H3N/c1-25-22-14-19-20(15-23(22)26-16-17-8-4-2-5-9-17)24-13-12-21(19)27-18-10-6-3-7-11-18;/h2-15H,16H2,1H3;1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KENBFQOWUJTMCP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
374.16304257

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
374.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4.N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4.N

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
374.16304257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
14  16  8
15  18  8
15  19  8
17  22  8
17  23  8
18  20  8
19  21  8
20  25  8
21  25  8
22  26  8
23  27  8
26  28  8
27  28  8
4  16  8
4  7  8
6  12  8
6  7  8
6  9  8
7  11  8
8  10  8
8  11  8
9  10  8

$$$$