1000056
  -OEChem-04262402182D

 59 62  0     0  0  0  0  0  0999 V2000
   11.5263    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6542   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0706    0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0706   -1.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.7500    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
   13.2583   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    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
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    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
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    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
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1151   -0.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1151    0.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6080    0.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8195    1.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8195   -1.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6080   -1.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  2 26  1  0  0  0  0
  2 32  1  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 24  2  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 49  1  0  0  0  0
  7 28  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 14 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
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 19 21  1  0  0  0  0
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 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
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 32 55  1  0  0  0  0
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 33 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1000056

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
647

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABUAAAHgAYAAAADAShmAIyBoBiBACIAiFSEACCCAAkIAIaqAEGDMgMJzaEtRuCOWDn4BUIqYeY/PyOoAADCAAYAABAAAYQADAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[3-(indan-5-yloxymethyl)benzoyl]-2,6-dimethoxy-benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[[3-(2,3-dihydro-1H-inden-5-yloxymethyl)phenyl]-oxomethyl]-2,6-dimethoxybenzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-[3-(2,3-dihydro-1<I>H</I>-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)phenyl]carbonyl-2,6-dimethoxy-benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[3-(indan-5-yloxymethyl)benzoyl]-2,6-dimethoxy-benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H26N2O5/c1-31-22-10-5-11-23(32-2)24(22)26(30)28-27-25(29)20-9-3-6-17(14-20)16-33-21-13-12-18-7-4-8-19(18)15-21/h3,5-6,9-15H,4,7-8,16H2,1-2H3,(H,27,29)(H,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
IBLBYMOMDRCDFN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
446.18417193

> <PUBCHEM_MOLECULAR_FORMULA>
C26H26N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
446.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CC=CC(=C2)COC3=CC4=C(CCC4)C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CC=CC(=C2)COC3=CC4=C(CCC4)C=C3

> <PUBCHEM_CACTVS_TPSA>
85.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
446.18417193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
25  26  8
25  27  8
26  29  8
27  30  8
29  31  8
30  31  8

$$$$