
 AC1LCLHZ

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.0660    0.3565    1.0719 C   0  0  0  0  0
    1.2135    0.9654   -0.2055 O   0  0  0  0  0
    2.2524    1.8531   -0.3267 C   0  0  0  0  0
    2.0983    2.8887   -1.2615 C   0  0  0  0  0
    3.0967    3.8611   -1.3973 C   0  0  0  0  0
    4.2859    3.7835   -0.6514 C   0  0  0  0  0
    4.4523    2.7037    0.2301 C   0  0  0  0  0
    3.4451    1.7483    0.3926 C   0  0  0  0  0
    5.3359    4.8780   -0.6940 C   0  0  0  0  0
    5.5949    5.4854   -2.0412 C   0  0  0  0  0
    5.3468    6.8000   -2.0657 C   0  0  0  0  0
    4.8802    7.1798   -0.7186 C   0  0  0  0  0
    4.5753    8.3193   -0.4142 O   0  0  0  0  0
    4.9118    6.0492    0.0578 N   0  0  0  0  0
    4.6198    6.0396    1.4834 C   0  0  0  0  0
    3.1215    5.9409    1.7835 C   0  0  0  0  0
    2.8557    5.9609    3.2677 C   0  0  0  0  0
    2.6546    7.1769    3.9334 C   0  0  0  0  0
    2.4321    7.1989    5.3105 C   0  0  0  0  0
    2.4137    6.0078    6.0339 C   0  0  0  0  0
    2.6172    4.7931    5.3812 C   0  0  0  0  0
    2.8386    4.7683    4.0036 C   0  0  0  0  0
    5.5612    7.7155   -3.0510 O   0  0  0  0  0
    6.1984    4.6574   -3.1062 C   0  0  0  0  0
    6.8964    3.7047   -2.7528 O   0  0  0  0  0
    5.9780    4.9806   -4.5006 C   0  0  0  0  0
    6.7046    4.6386   -5.6270 C   0  0  0  0  0
    6.0570    5.2408   -6.7319 C   0  0  0  0  0
    4.9515    5.8787   -6.2230 C   0  0  0  0  0
    4.8781    5.7042   -4.8787 O   0  0  0  0  0
    0.9107    2.9435   -1.9489 O   0  0  0  0  0
    1.0132    3.4160   -3.2881 C   0  0  0  0  0
    0.0401   -0.0166    1.1485 H   0  0  0  0  0
    1.2198    1.0690    1.8905 H   0  0  0  0  0
    1.7429   -0.4982    1.1666 H   0  0  0  0  0
    2.9322    4.7108   -2.0531 H   0  0  0  0  0
    5.3627    2.6092    0.8200 H   0  0  0  0  0
    3.6152    0.9291    1.0841 H   0  0  0  0  0
    6.2810    4.5300   -0.2580 H   0  0  0  0  0
    5.0077    6.9771    1.9022 H   0  0  0  0  0
    5.1823    5.2238    1.9512 H   0  0  0  0  0
    2.6961    5.0254    1.3591 H   0  0  0  0  0
    2.5804    6.7639    1.2995 H   0  0  0  0  0
    2.6689    8.1144    3.3809 H   0  0  0  0  0
    2.2725    8.1465    5.8183 H   0  0  0  0  0
    2.2391    6.0268    7.1064 H   0  0  0  0  0
    2.6015    3.8648    5.9461 H   0  0  0  0  0
    2.9934    3.8132    3.5066 H   0  0  0  0  0
    5.2664    8.5735   -2.6811 H   0  0  0  0  0
    7.6107    4.0478   -5.6323 H   0  0  0  0  0
    6.3591    5.2152   -7.7695 H   0  0  0  0  0
    4.1605    6.4712   -6.6617 H   0  0  0  0  0
    0.0914    3.1422   -3.8103 H   0  0  0  0  0
    1.8508    2.9509   -3.8201 H   0  0  0  0  0
    1.0940    4.5072   -3.3103 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  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 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 50  1  0  0  0
 28 29  2  0  0  0
 28 51  1  0  0  0
 29 30  1  0  0  0
 29 52  1  0  0  0
 31 32  1  0  0  0
 32 53  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
M  END

>  <Chemical Name>
AC1LCLHZ

>  <PubChem CID>
652107

>  <Formula>
C25H23NO6

>  <Molecular Weight>
433.460000

>  <IUPAC Name>
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C4=CC=CO4)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C4=CC=CO4)OC

>  <InChI Std. ID>
InChI=1S/C25H23NO6/c1-30-18-11-10-17(15-20(18)31-2)22-21(23(27)19-9-6-14-32-19)24(28)25(29)26(22)13-12-16-7-4-3-5-8-16/h3-11,14-15,22,28H,12-13H2,1-2H3

>  <InChI Key>
DMFFTBJDDXUOMK-UHFFFAOYSA-N

