70311771
  -OEChem-05042419242D

 61 63  0     1  0  0  0  0  0999 V2000
    6.1843    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    3.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -0.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    2.6059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551   -0.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020    4.3284    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0142    5.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    3.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5965    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4210    6.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    1.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    6.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7776    2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788    3.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666    2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9664    3.8268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002    5.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5835    4.6915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565    6.5526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    2.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.2463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6199    5.4113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6676    6.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    2.0938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    2.7752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7128    3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7361    4.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0079    4.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    1.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2650    2.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1310    2.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2682    3.2839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.6806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.6806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -5.2632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -6.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -6.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  2  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 25  1  0  0  0  0
  4 28  1  0  0  0  0
  5 26  1  0  0  0  0
  5 29  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 35  1  0  0  0  0
 13 17  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70311771

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
638

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAAABwAAAHgAAAAAADQzhngYyhpMIFECoAy1y1ASCiCAvYiAIiCG/rNgPZr6EtTufOSrm5hGaqYf6/D7OIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2-(3,4-diethoxyphenyl)oxazol-4-yl]methyl]-2-ethoxy-N-methyl-cyclohexa-2,4-diene-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2-(3,4-diethoxyphenyl)-4-oxazolyl]methyl]-2-ethoxy-N-methyl-1-cyclohexa-2,4-dienecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-<I>N</I>-methylcyclohexa-2,4-diene-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylcyclohexa-2,4-diene-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methyl-cyclohexa-2,4-diene-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2-(3,4-diethoxyphenyl)oxazol-4-yl]methyl]-2-ethoxy-N-methyl-cyclohexa-2,4-diene-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H30N2O5/c1-5-28-20-11-9-8-10-19(20)24(27)26(4)15-18-16-31-23(25-18)17-12-13-21(29-6-2)22(14-17)30-7-3/h8-9,11-14,16,19H,5-7,10,15H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
BAHUFOKAWOTXTN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
426.21547206

> <PUBCHEM_MOLECULAR_FORMULA>
C24H30N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
426.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C(C=C1)C2=NC(=CO2)CN(C)C(=O)C3CC=CC=C3OCC)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C(C=C1)C2=NC(=CO2)CN(C)C(=O)C3CC=CC=C3OCC)OCC

> <PUBCHEM_CACTVS_TPSA>
74

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.21547206

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
17  20  8
21  23  8
21  24  8
23  25  8
24  27  8
25  26  8
26  27  8
3  19  8
3  20  8
7  17  8
7  19  8
8  10  3

$$$$