24818183
  -OEChem-04192418252D

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    8.0622    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -1.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -1.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7372   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1681   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3597    0.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5785   -0.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9765   -0.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8799   -0.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2779   -0.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4967    0.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 34  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 12 17  2  0  0  0  0
 12 39  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 40  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  1  0  0  0  0
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 28 49  1  0  0  0  0
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 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
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 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24818183

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
577

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAUAAAADCzhngYyhpLQBACpA6VyUgCCCAAkIAAomKE+zNoNJz6EtZuGOern9hmK6ce42LOOIAABAAAIQABAAAIAABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethylisoxazol-4-yl)methoxy]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethylisoxazol-4-yl)methoxy]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N2O5/c1-6-29-23-13-12-19(14-24(23)30-7-2)16(3)26-25(28)20-10-8-9-11-22(20)31-15-21-17(4)27-32-18(21)5/h8-14,16H,6-7,15H2,1-5H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
UCHBSORTJGWPLP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
438.21547206

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
438.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=C2OCC3=C(ON=C3C)C)OCC

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
438.21547206

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  17  8
13  15  8
15  17  8
16  18  8
16  21  8
18  24  8
19  22  8
19  23  8
21  25  8
24  27  8
25  27  8
4  22  8
4  7  8
7  23  8
8  10  3
9  11  8
9  12  8

$$$$