4484099
  -OEChem-05221300472D

 56 58  0     1  0  0  0  0  0999 V2000
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1523   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1523    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941   -0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 21  1  0  0  0  0
  2 29  1  0  0  0  0
  3 23  2  0  0  0  0
  4 30  2  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 55  1  0  0  0  0
  6 30  1  0  0  0  0
  6 56  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  2  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  2  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 23  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  2  0  0  0  0
 19 22  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 46  1  0  0  0  0
 21 25  1  0  0  0  0
 22 25  2  0  0  0  0
 22 47  1  0  0  0  0
 24 27  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4484099

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
555

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHgAYAAAADQShmAIyBsBiBACIAiFSEAICCAAgIAIaqABGCIgOJiKEMR6DOCCk0BEIqAeAwPAOoAABAAAYAABAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-naphthyloxy)-N'-[2-(2-sec-butylphenoxy)acetyl]acetohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[2-(2-butan-2-ylphenoxy)-1-oxoethyl]-2-(2-naphthalenyloxy)acetohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-[2-(2-butan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[2-(2-butan-2-ylphenoxy)ethanoyl]-2-naphthalen-2-yloxy-ethanehydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-naphthoxy)-N'-[2-(2-sec-butylphenoxy)acetyl]acetohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H26N2O4/c1-3-17(2)21-10-6-7-11-22(21)30-16-24(28)26-25-23(27)15-29-20-13-12-18-8-4-5-9-19(18)14-20/h4-14,17H,3,15-16H2,1-2H3,(H,25,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
CRNVZSBDHASYIZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
406.189257

> <PUBCHEM_MOLECULAR_FORMULA>
C24H26N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
406.47424

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)C1=CC=CC=C1OCC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)C1=CC=CC=C1OCC(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2

> <PUBCHEM_CACTVS_TPSA>
76.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
406.189257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
13  15  8
14  16  8
15  16  8
18  19  8
18  20  8
18  24  8
19  22  8
19  26  8
20  21  8
21  25  8
22  25  8
24  27  8
26  28  8
27  28  8
7  10  3
9  11  8
9  13  8

$$$$