
 7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ylmethyl)chromen-2-one

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.9719   -1.8494    2.0816 C   0  0  0  0  0
    2.5945   -1.0552    0.9631 O   0  0  0  0  0
    3.5274   -0.1588    0.5196 C   0  0  0  0  0
    4.8992   -0.2244    0.7667 C   0  0  0  0  0
    5.7542    0.7559    0.2497 C   0  0  0  0  0
    5.2438    1.8085   -0.5191 C   0  0  0  0  0
    3.8696    1.8630   -0.7769 C   0  0  0  0  0
    3.0205    0.8796   -0.2640 C   0  0  0  0  0
    6.1416    2.8296   -1.0783 C   0  0  0  0  0
    6.6372    2.6333   -2.3101 C   0  0  0  0  0
    7.5002    3.6274   -2.9261 C   0  0  0  0  0
    7.7975    4.8016   -2.2339 C   0  0  0  0  0
    8.5821    5.8231   -2.7946 C   0  0  0  0  0
    9.0954    5.6057   -4.0808 C   0  0  0  0  0
    8.8247    4.4285   -4.7826 C   0  0  0  0  0
    8.0224    3.4424   -4.2070 C   0  0  0  0  0
    9.8746    6.5682   -4.6600 O   0  0  0  0  0
    8.8683    7.1034   -2.0380 C   0  0  0  0  0
    7.6657    7.8931   -1.7114 N   0  0  0  0  0
    8.0091    9.0537   -0.8599 C   0  0  0  0  0
    8.6893   10.2095   -1.6167 C   0  0  0  0  0
    7.9042   10.6413   -2.7349 O   0  0  0  0  0
    7.6501    9.5477   -3.6263 C   0  0  0  0  0
    6.9453    8.3908   -2.9017 C   0  0  0  0  0
    7.3040    4.9762   -0.9208 O   0  0  0  0  0
    6.4835    4.0460   -0.2925 C   0  0  0  0  0
    6.0793    4.2198    0.8526 O   0  0  0  0  0
    2.0850   -2.3956    2.4170 H   0  0  0  0  0
    3.3148   -1.2258    2.9145 H   0  0  0  0  0
    3.7303   -2.5875    1.8025 H   0  0  0  0  0
    5.3353   -1.0284    1.3499 H   0  0  0  0  0
    6.8204    0.6922    0.4561 H   0  0  0  0  0
    3.4477    2.6712   -1.3699 H   0  0  0  0  0
    1.9530    0.9312   -0.4641 H   0  0  0  0  0
    6.3900    1.7447   -2.8834 H   0  0  0  0  0
    9.2238    4.2649   -5.7798 H   0  0  0  0  0
    7.8091    2.5358   -4.7679 H   0  0  0  0  0
   10.1885    6.2488   -5.5226 H   0  0  0  0  0
    9.6049    7.7120   -2.5730 H   0  0  0  0  0
    9.3663    6.8049   -1.1050 H   0  0  0  0  0
    8.6304    8.7418   -0.0119 H   0  0  0  0  0
    7.0726    9.4293   -0.4279 H   0  0  0  0  0
    8.8048   11.0681   -0.9474 H   0  0  0  0  0
    9.6900    9.9329   -1.9673 H   0  0  0  0  0
    7.0048    9.9234   -4.4271 H   0  0  0  0  0
    8.5919    9.2286   -4.0857 H   0  0  0  0  0
    5.9675    8.7511   -2.5546 H   0  0  0  0  0
    6.7251    7.5817   -3.6062 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 26  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
M  END

>  <Chemical Name>
7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ylmethyl)chromen-2-one

>  <PubChem CID>
5457481

>  <Formula>
C21H21NO5

>  <Molecular Weight>
367.401000

>  <IUPAC Name>
7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ylmethyl)chromen-2-one

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCOCC4)OC2=O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCOCC4)OC2=O

>  <InChI Std. ID>
InChI=1S/C21H21NO5/c1-25-16-5-2-14(3-6-16)17-12-15-4-7-19(23)18(20(15)27-21(17)24)13-22-8-10-26-11-9-22/h2-7,12,23H,8-11,13H2,1H3

>  <InChI Key>
AMHXJTDQBLELFU-UHFFFAOYSA-N

