42934316
  -OEChem-04242407412D

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    8.9282    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4422    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
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  3 20  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
42934316

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
498

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAUAAAADAyhmAIyxoLQBACoA6VyUACCCAAlIgAIiAE2bNgNJrbEtZuGOWjk9BHK6YeYyKCOCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[(E)-N-[2-(2-acetylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[(1E)-1-[2-(2-acetylphenoxy)ethoxyimino]ethyl]phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[(<I>E</I>)-<I>N</I>-[2-(2-acetylphenoxy)ethoxy]-<I>C</I>-methylcarbonimidoyl]phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[(E)-N-[2-(2-acetylphenoxy)ethoxy]-C-methylcarbonimidoyl]phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[(E)-N-[2-(2-ethanoylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[(E)-N-[2-(2-acetylphenoxy)ethoxy]-C-methyl-carbonimidoyl]phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22N2O4/c1-14(17-8-10-18(11-9-17)21-16(3)24)22-26-13-12-25-20-7-5-4-6-19(20)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,24)/b22-14+

> <PUBCHEM_IUPAC_INCHIKEY>
POSUZRODSIDFLM-HYARGMPZSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
354.15795719

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
354.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=NOCCOC1=CC=CC=C1C(=O)C)C2=CC=C(C=C2)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=N\OCCOC1=CC=CC=C1C(=O)C)/C2=CC=C(C=C2)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
77

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.15795719

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  16  8
11  17  8
13  16  8
14  17  8
18  21  8
19  22  8
21  22  8
7  13  8
7  14  8
8  18  8
8  9  8
9  19  8

$$$$