57525866
  -OEChem-05132409232D

 56 58  0     1  0  0  0  0  0999 V2000
   13.6503    9.4226    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    6.2723    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4999    7.6383    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999    5.9063    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1136    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    5.4796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    3.7476    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1028    8.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    6.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8659    7.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0495    1.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4102    5.4676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9431    7.8415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4102    7.0770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4640    6.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4640    5.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9938    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2202    7.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7209    4.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980    7.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980    5.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7319    6.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0530    3.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7319    5.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1174    8.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1331    7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3637    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0745    3.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275    9.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8403    8.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4067    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7173    2.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9999    6.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3602    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1034    4.0291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2678    4.8091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980    7.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980    4.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4966    8.1586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950    5.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5515    8.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1968    6.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9704    2.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    4.5683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8637    9.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8884    1.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000    3.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708    0.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9495    0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.9236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 36  1  0  0  0  0
  3 36  1  0  0  0  0
  4 36  1  0  0  0  0
  5 38  1  0  0  0  0
  6 38  1  0  0  0  0
  7 38  1  0  0  0  0
  8 16  1  0  0  0  0
  8 44  1  0  0  0  0
  9 19  2  0  0  0  0
 10 24  1  0  0  0  0
 10 36  1  0  0  0  0
 11 35  1  0  0  0  0
 11 37  1  0  0  0  0
 12 39  1  0  0  0  0
 12 56  1  0  0  0  0
 13 39  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  1  0  0  0  0
 15 28  1  0  0  0  0
 15 32  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  2  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 26  2  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 31  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 33  1  0  0  0  0
 29 48  1  0  0  0  0
 30 34  2  0  0  0  0
 30 49  1  0  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 33 35  2  0  0  0  0
 33 51  1  0  0  0  0
 34 35  1  0  0  0  0
 34 52  1  0  0  0  0
 37 53  1  0  0  0  0
 37 54  1  0  0  0  0
 37 55  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57525866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
756

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
14

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OcAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB0AAAHwAACAAADEzBmh4+zpMIFgCoAjX3XAKCiCAxIiAI2CF+bJgOJvLEtZuEcChmxhHY+Af83PLOoEABAAACAABAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(6-fluoro-3-pyridyl)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indolin-2-one;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
3-(6-fluoro-3-pyridinyl)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-2-indolone;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(6-fluoropyridin-3-yl)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indol-2-one;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
3-(6-fluoropyridin-3-yl)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indol-2-one;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(6-fluoranylpyridin-3-yl)-1-[(4-methoxyphenyl)methyl]-3-oxidanyl-5-(trifluoromethyloxy)indol-2-one;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(6-fluoro-3-pyridyl)-3-hydroxy-1-p-anisyl-5-(trifluoromethoxy)oxindole;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H16F4N2O4.C2HF3O2/c1-31-15-5-2-13(3-6-15)12-28-18-8-7-16(32-22(24,25)26)10-17(18)21(30,20(28)29)14-4-9-19(23)27-11-14;3-2(4,5)1(6)7/h2-11,30H,12H2,1H3;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
MGOZGPIZPHWPTO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
562.09748340

> <PUBCHEM_MOLECULAR_FORMULA>
C24H17F7N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
562.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(C2=O)(C4=CN=C(C=C4)F)O.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(C2=O)(C4=CN=C(C=C4)F)O.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
562.09748340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
15  28  8
15  32  8
16  20  3
17  18  8
17  22  8
18  23  8
20  27  8
20  28  8
22  24  8
23  26  8
24  26  8
25  29  8
25  30  8
27  31  8
29  33  8
30  34  8
31  32  8
33  35  8
34  35  8

$$$$