3169045
  -OEChem-05142411332D

 49 51  0     0  0  0  0  0  0999 V2000
    2.8660    0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -5.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230   -5.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -2.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -4.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -6.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965   -6.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    5.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    6.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 24  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  1  0  0  0  0
  3 28  1  0  0  0  0
  4 15  2  0  0  0  0
  5 21  1  0  0  0  0
  5 29  1  0  0  0  0
  6 17  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3169045

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
551

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADAyhmAIyxoLABECIAq1S0AKCCAAlIgAIiAHHbMgOJjLEtb+HOSjm1BnY6YfY3wPOIQCAAgAAEABCAQAEAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2,5-dimethoxy-4-[(4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2,5-dimethoxy-4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2,5-dimethoxy-4-[(4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2,5-dimethoxy-4-[(4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,5-dimethoxy-4-[(4-methoxyphenyl)carbonylamino]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2,5-dimethoxy-4-(p-anisoylamino)phenyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H20N2O6/c1-26-14-8-6-13(7-9-14)20(24)22-15-11-19(28-3)16(12-18(15)27-2)23-21(25)17-5-4-10-29-17/h4-12H,1-3H3,(H,22,24)(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
RVXPVWMMLRIREY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
396.13213636

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
396.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2OC)NC(=O)C3=CC=CO3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2OC)NC(=O)C3=CC=CO3)OC

> <PUBCHEM_CACTVS_TPSA>
99

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
396.13213636

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  14  8
11  14  8
12  13  8
16  18  8
16  19  8
18  22  8
19  23  8
20  26  8
21  22  8
21  23  8
26  27  8
27  28  8
3  20  8
3  28  8
9  11  8
9  13  8

$$$$