24819471
  -OEChem-05092423492D

 54 56  0     0  0  0  0  0  0999 V2000
    2.6324   -4.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    1.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    3.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    7.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -1.5378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.1847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135   -2.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -3.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3958   -1.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0392   -4.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    2.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -5.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9483    4.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404   -6.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -6.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    6.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    5.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    5.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594   -7.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    7.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    7.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   -1.9008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -2.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509   -3.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7342   -2.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -2.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -1.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606   -1.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    1.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8702    3.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4717    2.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3981   -4.5859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348   -5.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570   -6.0658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -7.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    4.4136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    4.4136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    6.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    6.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6930   -7.9758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -8.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258   -7.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1244    7.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    8.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044    8.2605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  2  0  0  0  0
  5 29  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 35  1  0  0  0  0
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 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 39  1  0  0  0  0
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 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
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 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
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 20 24  2  0  0  0  0
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 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
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 23 27  1  0  0  0  0
 23 29  1  0  0  0  0
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 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
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 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24819471

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
556

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAEAAAADAzhngYyhpMQBACpA6VyUgKCCAAmIgAomCH+bNoPZjqEtZ+XOajmxhma6ce/3ILOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(4-acetylphenoxy)methyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]isoxazole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(4-acetylphenoxy)methyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-isoxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(4-acetylphenoxy)methyl]-<I>N</I>-methyl-<I>N</I>-[2-(4-methylphenoxy)ethyl]-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-[(4-acetylphenoxy)methyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(4-ethanoylphenoxy)methyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(4-acetylphenoxy)methyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]isoxazole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N2O5/c1-16-4-8-19(9-5-16)28-13-12-25(3)23(27)22-14-21(30-24-22)15-29-20-10-6-18(7-11-20)17(2)26/h4-11,14H,12-13,15H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
KTTNJACZFODWET-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
408.16852187

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
408.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)OCCN(C)C(=O)C2=NOC(=C2)COC3=CC=C(C=C3)C(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)OCCN(C)C(=O)C2=NOC(=C2)COC3=CC=C(C=C3)C(=O)C

> <PUBCHEM_CACTVS_TPSA>
81.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.16852187

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  14  8
13  14  8
15  17  8
15  18  8
17  21  8
18  22  8
19  21  8
19  22  8
2  13  8
2  7  8
20  24  8
20  25  8
23  26  8
23  27  8
24  26  8
25  27  8
7  11  8

$$$$