67265141
  -OEChem-04262408432D

 46 49  0     0  0  0  0  0  0999 V2000
    4.5981   -1.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707    2.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873    4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6591    3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8176    1.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3867    3.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111    2.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7802    4.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1924    3.8535    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 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  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  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
 10 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 19 36  1  0  0  0  0
 20 23  1  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  2  0  0  0  0
 22 39  1  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 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67265141

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
433

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAAAAAADAzhngY+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19NO3/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

> <PUBCHEM_IUPAC_INCHIKEY>
SCYREZGRTOPLLT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
357.13649347

> <PUBCHEM_MOLECULAR_FORMULA>
C23H19NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
357.4

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

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

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.13649347

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  13  8
13  15  8
14  17  8
14  18  8
16  21  8
16  22  8
17  19  8
18  20  8
19  23  8
20  23  8
21  25  8
22  26  8
25  27  8
26  27  8
4  15  8
4  6  8
5  10  8
5  6  8
5  8  8
6  11  8
7  11  8
7  9  8
8  9  8

$$$$