8030390
  -OEChem-05072406392D

 43 45  0     0  0  0  0  0  0999 V2000
   10.7262   -0.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -0.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -0.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -1.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.2638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -1.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663   -0.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602   -0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663    1.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602    0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262    2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778   -1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9734    1.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5245    1.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3462    2.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262    2.8904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1062    2.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3579   -1.7714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9850   -2.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5978   -1.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7683    0.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9952    1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1483    1.8074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7249    0.2194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278    0.2163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    0.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    0.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.4658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -2.0858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -2.8904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  2  0  0  0  0
  4 20  2  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 39  1  0  0  0  0
  6 21  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8030390

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
560

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBwAAAHgAQAAAADAThmgY/vpLIFACoAjP3fAKCiCkxIiAJ2CF+bNiOJ+LEuZ+HOijt1RfY6SeQ4OwOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-pyridyl)-2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxy-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-pyridinyl)-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-pyridin-2-yl-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide

> <PUBCHEM_IUPAC_NAME>
N-pyridin-2-yl-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-pyridin-2-yl-2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxy-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(2-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O4/c1-11-12(2)19(23)25-18-13(3)15(8-7-14(11)18)24-10-17(22)21-16-6-4-5-9-20-16/h4-9H,10H2,1-3H3,(H,20,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
IIXINRDIZCADGQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
338.12665706

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
338.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC3=CC=CC=N3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC3=CC=CC=N3)C

> <PUBCHEM_CACTVS_TPSA>
77.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.12665706

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  16  8
1  8  8
10  12  8
11  16  8
12  14  8
13  14  8
21  22  8
22  23  8
23  24  8
24  25  8
6  21  8
6  25  8
7  13  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$