60584325
  -OEChem-04242421232D

 58 60  0     0  0  0  0  0  0999 V2000
    4.5981    2.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4982    3.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053    4.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394    4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832    2.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993    3.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586    2.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042    4.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448    5.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789    4.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    4.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.5996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -3.0199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -1.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -3.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -5.0199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
  4 26  1  0  0  0  0
  4 29  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 16 19  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60584325

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
513

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAABQAAAHgAAAAAADQTBmAYyBoMABACIAiFSEACCCAAgIAAIiAAOjMgNJyKEsRuEMCplxhWKqYeQ4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-N-benzyl-N-(cyclobutylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-(cyclobutylmethyl)-N-(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-benzyl-<I>N</I>-(cyclobutylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-benzyl-N-(cyclobutylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-(cyclobutylmethyl)-N-(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-N-benzyl-N-(cyclobutylmethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H29NO4/c1-27-21-14-20(15-22(28-2)24(21)29-3)12-13-23(26)25(17-19-10-7-11-19)16-18-8-5-4-6-9-18/h4-6,8-9,12-15,19H,7,10-11,16-17H2,1-3H3/b13-12+

> <PUBCHEM_IUPAC_INCHIKEY>
ZMBFYPVVNOLSBB-OUKQBFOZSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
395.20965841

> <PUBCHEM_MOLECULAR_FORMULA>
C24H29NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
395.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N(CC2CCC2)CC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N(CC2CCC2)CC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
48

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
395.20965841

> <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>
1

> <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>
13  15  8
13  16  8
15  18  8
16  19  8
18  20  8
19  20  8
21  22  8
21  23  8
22  25  8
23  24  8
24  26  8
25  26  8

$$$$