1805160
  -OEChem-05231307492D

 56 60  0     0  0  0  0  0  0999 V2000
    6.4641    2.3636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953   -4.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.1364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    6.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3580    4.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    6.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3580    6.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    6.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641    5.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641    6.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -5.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047   -4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -6.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -6.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    3.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    3.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    5.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3509    4.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    7.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3509    7.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    6.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7998    5.0307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7998    6.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3940   -4.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -6.0322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -6.0322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -7.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -7.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -0.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    2.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.3267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  3 27  1  0  0  0  0
  4 20  1  0  0  0  0
  4 35  1  0  0  0  0
  5 33  2  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 53  1  0  0  0  0
  7 34  2  3  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 16  1  0  0  0  0
 12 38  1  0  0  0  0
 13 18  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  2  0  0  0  0
 14 40  1  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 29  2  0  0  0  0
 22 30  2  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 24 34  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 33  1  0  0  0  0
 28 47  1  0  0  0  0
 29 31  1  0  0  0  0
 29 48  1  0  0  0  0
 30 32  1  0  0  0  0
 30 49  1  0  0  0  0
 31 32  2  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
 34 52  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1805160

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
736

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAEAAAAAAAAAAAAAAAAASAAAAAwYMGAAAAAAEjB9AAAHgIYAAAADAbhmCYyBsBiBECoArFzEAKSCAAkJUAaiAHmj9gPJrOFtx+DOSLkyBEKqYeY3/DuoAADIQAYSABAAAZCADCQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[3-chloro-5-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[3-chloro-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]methylideneamino]-2-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[3-chloranyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[3-chloro-5-methoxy-4-(1-naphthylmethoxy)benzylidene]amino]coumarilamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H21ClN2O4/c1-33-25-14-18(16-30-31-28(32)26-15-20-8-3-5-12-24(20)35-26)13-23(29)27(25)34-17-21-10-6-9-19-7-2-4-11-22(19)21/h2-16H,17H2,1H3,(H,31,32)

> <PUBCHEM_IUPAC_INCHIKEY>
UAHARGUROYNPSE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.9

> <PUBCHEM_EXACT_MASS>
484.118985

> <PUBCHEM_MOLECULAR_FORMULA>
C28H21ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
484.93034

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3O2)Cl)OCC4=CC=CC5=CC=CC=C54

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3O2)Cl)OCC4=CC=CC5=CC=CC=C54

> <PUBCHEM_CACTVS_TPSA>
73.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
484.118985

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
10  15  8
12  16  8
13  18  8
14  16  8
15  19  8
17  20  8
17  23  8
18  19  8
20  25  8
21  22  8
21  26  8
21  29  8
22  30  8
23  28  8
24  25  8
24  28  8
26  27  8
29  31  8
3  22  8
3  27  8
30  32  8
31  32  8
7  34  1
8  10  8
8  13  8
8  9  8
9  12  8

$$$$