17374782
  -OEChem-04252416362D

 46 48  0     0  0  0  0  0  0999 V2000
   12.3923   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1523   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1523    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941   -0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 37  1  0  0  0  0
  2 20  1  0  0  0  0
  2 26  1  0  0  0  0
  3 18  2  0  0  0  0
  4 25  2  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 34  1  0  0  0  0
  6 19  1  0  0  0  0
  6 25  1  0  0  0  0
  6 40  1  0  0  0  0
  7 25  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17374782

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
508

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHgAYCAAADAyhmAIzxsLiBgCIAiVSUACCCAAlIgIeqAEGbMiMJjbGtZuGeWj29BNI+ae4yPCOwEADAAAYAACAgAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-ethoxyphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-ethoxyphenyl)-3-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]amino]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-ethoxyphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea

> <PUBCHEM_IUPAC_NAME>
1-(4-ethoxyphenyl)-3-[(1-hydroxynaphthalene-2-carbonyl)amino]urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-ethoxyphenyl)-3-[(1-oxidanylnaphthalen-2-yl)carbonylamino]urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(1-hydroxy-2-naphthoyl)amino]-3-p-phenetyl-urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19N3O4/c1-2-27-15-10-8-14(9-11-15)21-20(26)23-22-19(25)17-12-7-13-5-3-4-6-16(13)18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
WWXYMIPQPXOWRH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
365.13755610

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
365.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=CC=CC=C3C=C2)O

> <PUBCHEM_CACTVS_TPSA>
99.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.13755610

> <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  11  8
11  13  8
12  13  8
14  16  8
15  17  8
16  17  8
19  21  8
19  22  8
20  23  8
20  24  8
21  23  8
22  24  8
8  10  8
8  14  8
8  9  8
9  12  8
9  15  8

$$$$