70388614
  -OEChem-04272401032D

 48 48  0     0  0  0  0  0  0999 V2000
    5.4641    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 20  2  0  0  0  0
  5 23  1  0  0  0  0
  5 48  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70388614

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADAThmAYyBoLABgCIAiFSEACCCAAgIAAIiIAOiMgPNyKEMRqCOCKl1hWaqYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H25NO5/c1-4-21-14-11-13(7-8-16(20)18-9-10-19)12-15(22-5-2)17(14)23-6-3/h7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,18,20)/b8-7+

> <PUBCHEM_IUPAC_INCHIKEY>
RLKQRSDNPLQHCB-BQYQJAHWSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
323.17327290

> <PUBCHEM_MOLECULAR_FORMULA>
C17H25NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
323.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC(=CC(=C1OCC)OCC)C=CC(=O)NCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC(=CC(=C1OCC)OCC)/C=C/C(=O)NCCO

> <PUBCHEM_CACTVS_TPSA>
77

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.17327290

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
10  11  8
10  12  8
7  8  8
7  9  8
8  11  8
9  12  8

$$$$