1103487
  -OEChem-05102422502D

 47 49  0     0  0  0  0  0  0999 V2000
   11.5263   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0183   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0183    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9244   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9244    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4601   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4601    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 21  2  0  0  0  0
  4 26  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 43  1  0  0  0  0
  6 26  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8 13  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 21  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 25  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1103487

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
491

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHgAYAAAADAShmAIyBsBiBACIAiFSEAICCAAgIAIaqAFGCIgOJjKEtR+DOCCk0BEIqAeYyLCOoAABAAAQAABAAAIAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-methoxyphenyl)-N'-[2-(2-naphthyloxy)acetyl]acetohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-methoxyphenyl)-N'-[2-(2-naphthalenyloxy)-1-oxoethyl]acetohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-methoxyphenyl)-<I>N</I>&apos;-(2-naphthalen-2-yloxyacetyl)acetohydrazide

> <PUBCHEM_IUPAC_NAME>
2-(4-methoxyphenyl)-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-methoxyphenyl)-N'-(2-naphthalen-2-yloxyethanoyl)ethanehydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-methoxyphenyl)-N'-[2-(2-naphthoxy)acetyl]acetohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H20N2O4/c1-26-18-9-6-15(7-10-18)12-20(24)22-23-21(25)14-27-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13H,12,14H2,1H3,(H,22,24)(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
VPRQINYOEFXPHA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
364.14230712

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
364.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)CC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2

> <PUBCHEM_CACTVS_TPSA>
76.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.14230712

> <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  14  8
11  17  8
11  18  8
13  14  8
15  19  8
16  20  8
17  24  8
18  25  8
19  20  8
23  24  8
23  25  8
7  15  8
7  8  8
7  9  8
8  13  8
8  16  8
9  10  8

$$$$