57771035
  -OEChem-05072405052D

 49 52  0     0  0  0  0  0  0999 V2000
    9.8220    1.0174    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    1.9973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    2.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6591    3.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271    3.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873    4.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5193    4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.6199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3867    3.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111    2.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7802    4.6372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8355    3.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0526    4.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2031    4.5706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  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 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 29  2  0  0  0  0
 25 41  1  0  0  0  0
 26 29  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57771035

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
501

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MQAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHwAAAAAADAzhng4+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-benzyloxy-4-(2-fluoro-4-methyl-phenoxy)-6-methoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2-fluoro-4-methylphenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-fluoro-4-methylphenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
4-(2-fluoro-4-methylphenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-fluoranyl-4-methyl-phenoxy)-6-methoxy-7-phenylmethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-benzoxy-4-(2-fluoro-4-methyl-phenoxy)-6-methoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H20FNO3/c1-16-8-9-22(19(25)12-16)29-21-10-11-26-20-14-24(23(27-2)13-18(20)21)28-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZTZLQFGYLLIJBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
389.14272166

> <PUBCHEM_MOLECULAR_FORMULA>
C24H20FNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
389.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OCC4=CC=CC=C4)OC)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OCC4=CC=CC=C4)OC)F

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.14272166

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
13  17  8
15  23  8
15  24  8
16  19  8
16  20  8
18  21  8
18  22  8
19  21  8
20  22  8
23  25  8
24  26  8
25  29  8
26  29  8
5  17  8
5  7  8
6  10  8
6  7  8
6  9  8
7  12  8
8  11  8
8  12  8
9  13  8

$$$$