53301541
  -OEChem-05092409432D

 53 56  0     1  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -0.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8230   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6700   -3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8969   -2.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  2  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  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 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53301541

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAEgBwAAAHgAAAAAADBThmAYyBoMABECIAqBSAAACCAAkIAAIiAEOCMgOJzaENRqDOSCl4BGYqYfK7PzOIAAAAAAAAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-[[2-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzofuran-4-yl]oxy]ethyl]morpholine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-[[2-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzofuran-4-yl]oxy]ethyl]morpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-[[2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]oxy]ethyl]morpholine

> <PUBCHEM_IUPAC_NAME>
4-[2-[[2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]oxy]ethyl]morpholine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-[[2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]oxy]ethyl]morpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-[[2-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzofuran-4-yl]oxy]ethyl]morpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H27NO4/c1-23-17-7-5-16(6-8-17)21-15-18-19(3-2-4-20(18)26-21)25-14-11-22-9-12-24-13-10-22/h5-8,15,19H,2-4,9-14H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
VHMDQQNITPNKKF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
357.19400834

> <PUBCHEM_MOLECULAR_FORMULA>
C21H27NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
357.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=CC3=C(O2)CCCC3OCCN4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=CC3=C(O2)CCCC3OCCN4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
44.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.19400834

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
6  1  3
14  17  8
2  11  8
2  17  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8
9  11  8
9  14  8

$$$$