70701947
  -OEChem-05072417022D

 39 40  0     1  0  0  0  0  0999 V2000
    4.5981    2.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423   -4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211   -2.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -3.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8261    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391   -2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7777   -1.5446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.9337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.2435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055   -2.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4491   -1.8769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315   -2.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946   -3.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    3.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    4.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  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 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70701947

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
298

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCzhmAYzBoLABACIAiBCEAACCAAgIAAIiIAOiIiNZiKEsRuWOCKs1hMKqAeQ0LMOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(4-methoxy-3-propoxy-phenyl)methyl]imidazolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(4-methoxy-3-propoxyphenyl)methyl]-2-imidazolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(4-methoxy-3-propoxyphenyl)methyl]imidazolidin-2-one

> <PUBCHEM_IUPAC_NAME>
4-[(4-methoxy-3-propoxyphenyl)methyl]imidazolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(4-methoxy-3-propoxy-phenyl)methyl]imidazolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(4-methoxy-3-propoxy-benzyl)-2-imidazolidinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20N2O3/c1-3-6-19-13-8-10(4-5-12(13)18-2)7-11-9-15-14(17)16-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H2,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
PMTHVGDMNMTSTC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
264.14739250

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
264.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC

> <PUBCHEM_CACTVS_TPSA>
59.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.14739250

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  13  8
12  14  8
13  15  8
14  15  8
6  7  3
9  11  8
9  12  8

$$$$