60584129
  -OEChem-04172422422D

 54 56  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
    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
    3.7320   -2.4830    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
    4.5981   -2.9830    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
    5.4641   -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
    6.0010   -2.7930    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
    5.1541   -5.0199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  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 12  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
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  2  0  0  0  0
 15 41  1  0  0  0  0
 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60584129

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
482

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAABQAAAHgAAAAAADQTBmAYyBoMABACIAiFSEACCCAAgIAAIiAAOjMgNJiKEsRuEMCpkxhGKqYeQwBAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27NO3/c1-26-21-13-11-18(15-22(21)27-2)12-14-23(25)24(17-20-9-6-10-20)16-19-7-4-3-5-8-19/h3-5,7-8,11-15,20H,6,9-10,16-17H2,1-2H3/b14-12+

> <PUBCHEM_IUPAC_INCHIKEY>
CUSPEIMQIPJTGP-WYMLVPIESA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
365.19909372

> <PUBCHEM_MOLECULAR_FORMULA>
C23H27NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
365.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C=CC(=O)N(CC2CCC2)CC3=CC=CC=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)/C=C/C(=O)N(CC2CCC2)CC3=CC=CC=C3)OC

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.19909372

> <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>
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>
12  14  8
12  15  8
14  17  8
15  18  8
17  19  8
18  19  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8

$$$$