53303471
  -OEChem-04252408472D

 60 60  0     0  0  0  0  0  0999 V2000
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5000    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
    9.7942    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    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
    7.1962   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    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
    6.9841    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -4.9631    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
    4.0420   -6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  2  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 49  1  0  0  0  0
 20 23  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53303471

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
441

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADATBmAYyBoMABACIAiFSEACCCAAgIAAIiAAOiMgNJyKEsRqEMCIlxhWKqYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,4E)-N,N-dibutyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,4E)-N,N-dibutyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>,4<I>E</I>)-<I>N</I>,<I>N</I>-dibutyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

> <PUBCHEM_IUPAC_NAME>
(2E,4E)-N,N-dibutyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,4E)-N,N-dibutyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,4E)-N,N-dibutyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H33NO4/c1-6-8-14-23(15-9-7-2)21(24)13-11-10-12-18-16-19(25-3)22(27-5)20(17-18)26-4/h10-13,16-17H,6-9,14-15H2,1-5H3/b12-10+,13-11+

> <PUBCHEM_IUPAC_INCHIKEY>
AMUASPKIOIXXRP-DCIPZJNNSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
375.24095853

> <PUBCHEM_MOLECULAR_FORMULA>
C22H33NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
375.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN(CCCC)C(=O)C=CC=CC1=CC(=C(C(=C1)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN(CCCC)C(=O)/C=C/C=C/C1=CC(=C(C(=C1)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
48

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
375.24095853

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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>
18  20  8
18  21  8
20  23  8
21  22  8
22  24  8
23  24  8

$$$$