67265211
  -OEChem-04192421132D

 50 52  0     0  0  0  0  0  0999 V2000
    8.3590    5.6747    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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   11.9279    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
    6.6270    5.6547    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
    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
    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   12.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371   12.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8740   11.3079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  2  0  0  0  0
  5 17  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 12 15  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  2  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
 24 28  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67265211

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
473

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHwAQAAAADAzhng4+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonia;7-benzyloxy-4-(2-fluorophenoxy)-6-methoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;4-(2-fluoranylphenoxy)-6-methoxy-7-phenylmethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;7-benzoxy-4-(2-fluorophenoxy)-6-methoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18FNO3.H3N/c1-26-22-13-17-19(14-23(22)27-15-16-7-3-2-4-8-16)25-12-11-20(17)28-21-10-6-5-9-18(21)24;/h2-14H,15H2,1H3;1H3

> <PUBCHEM_IUPAC_INCHIKEY>
MEPMEYJIWGKDLA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
392.15362070

> <PUBCHEM_MOLECULAR_FORMULA>
C23H21FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
392.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F.N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F.N

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.15362070

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
10  11  8
12  15  8
15  17  8
16  19  8
16  20  8
18  23  8
18  24  8
19  21  8
20  22  8
21  26  8
22  26  8
23  27  8
24  28  8
27  29  8
28  29  8
5  17  8
5  8  8
7  10  8
7  12  8
7  8  8
8  13  8
9  11  8
9  13  8

$$$$