
 AC1MEUXL

 58 61  0  0  0  0  0  0  0  0999 V2000
   -0.4731    1.2853   -0.3560 C   0  0  0  0  0
    0.8388    1.1444    0.1759 O   0  0  0  0  0
    1.7350    2.1349   -0.1218 C   0  0  0  0  0
    3.0298    1.9147    0.3578 C   0  0  0  0  0
    4.0557    2.8407    0.1283 C   0  0  0  0  0
    3.7778    4.0309   -0.5708 C   0  0  0  0  0
    2.4660    4.2435   -1.0406 C   0  0  0  0  0
    1.4575    3.3012   -0.8265 C   0  0  0  0  0
    4.8538    5.0889   -0.7768 C   0  0  0  0  0
    4.9700    5.6384   -2.1752 C   0  0  0  0  0
    4.6630    6.9391   -2.2349 C   0  0  0  0  0
    4.3930    7.3965   -0.8544 C   0  0  0  0  0
    4.1201    8.5506   -0.5752 O   0  0  0  0  0
    4.5292    6.3034   -0.0365 N   0  0  0  0  0
    4.3854    6.3514    1.4138 C   0  0  0  0  0
    5.5695    7.0583    2.1037 C   0  0  0  0  0
    5.4179    7.1718    3.5668 N   0  0  0  0  0
    5.5016    5.8751    4.2741 C   0  0  0  0  0
    6.9192    5.2817    4.3220 C   0  0  0  0  0
    7.8469    6.1994    4.9134 O   0  0  0  0  0
    7.8535    7.4465    4.2068 C   0  0  0  0  0
    6.4473    8.0686    4.1431 C   0  0  0  0  0
    4.5643    7.7713   -3.3066 O   0  0  0  0  0
    5.3477    4.7538   -3.3028 C   0  0  0  0  0
    5.1116    3.5501   -3.2082 O   0  0  0  0  0
    5.9856    5.3052   -4.4821 C   0  0  0  0  0
    5.9917    4.8571   -5.7910 C   0  0  0  0  0
    6.7965    5.7583   -6.5286 C   0  0  0  0  0
    7.2633    6.6797   -5.6224 C   0  0  0  0  0
    6.7934    6.4056   -4.3783 O   0  0  0  0  0
    5.3417    2.6860    0.5811 O   0  0  0  0  0
    5.7221    1.3778    0.9975 C   0  0  0  0  0
   -1.0534    0.4092   -0.0510 H   0  0  0  0  0
   -0.4544    1.3086   -1.4507 H   0  0  0  0  0
   -0.9711    2.1717    0.0506 H   0  0  0  0  0
    3.2050    1.0035    0.9213 H   0  0  0  0  0
    2.2124    5.1551   -1.5779 H   0  0  0  0  0
    0.4680    3.5169   -1.2150 H   0  0  0  0  0
    5.8429    4.7569   -0.4419 H   0  0  0  0  0
    4.2663    5.3298    1.7832 H   0  0  0  0  0
    3.4609    6.8990    1.6322 H   0  0  0  0  0
    5.6319    8.0707    1.6843 H   0  0  0  0  0
    6.5038    6.5578    1.8243 H   0  0  0  0  0
    4.7996    5.1453    3.8603 H   0  0  0  0  0
    5.1686    6.0494    5.3062 H   0  0  0  0  0
    6.9164    4.3763    4.9374 H   0  0  0  0  0
    7.2756    4.9981    3.3253 H   0  0  0  0  0
    8.5287    8.1217    4.7425 H   0  0  0  0  0
    8.2723    7.2902    3.2064 H   0  0  0  0  0
    6.1310    8.3133    5.1657 H   0  0  0  0  0
    6.4790    9.0211    3.6012 H   0  0  0  0  0
    4.3576    8.6542   -2.9358 H   0  0  0  0  0
    5.4604    3.9903   -6.1595 H   0  0  0  0  0
    7.0142    5.7354   -7.5868 H   0  0  0  0  0
    7.9071    7.5447   -5.6981 H   0  0  0  0  0
    6.8125    1.3604    1.0881 H   0  0  0  0  0
    5.4413    0.6158    0.2619 H   0  0  0  0  0
    5.3003    1.1521    1.9819 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 36  1  0  0  0
  5  6  2  0  0  0
  5 31  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
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 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 23 52  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 53  1  0  0  0
 28 29  2  0  0  0
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 29 30  1  0  0  0
 29 55  1  0  0  0
 31 32  1  0  0  0
 32 56  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
M  END

>  <Chemical Name>
AC1MEUXL

>  <PubChem CID>
2909444

>  <Formula>
C23H26N2O7

>  <Molecular Weight>
442.468000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4)OC

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4)OC

>  <InChI Std. ID>
InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,20,27H,7-10,12-13H2,1-2H3

>  <InChI Key>
CLOCOXWERSSZQD-UHFFFAOYSA-N

