
 AC1MHCQD

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.7807    1.6654   -2.9818 C   0  0  0  0  0
    2.0754    1.7324   -2.1920 C   0  0  0  0  0
    1.8661    2.3323   -0.8036 C   0  0  0  0  0
    3.1016    2.3760   -0.0891 O   0  0  0  0  0
    3.9536    3.4206   -0.3120 C   0  0  0  0  0
    5.2450    3.2300    0.1831 C   0  0  0  0  0
    6.2238    4.2161    0.0335 C   0  0  0  0  0
    5.9223    5.4270   -0.6054 C   0  0  0  0  0
    4.6175    5.6159   -1.0900 C   0  0  0  0  0
    3.6443    4.6195   -0.9491 C   0  0  0  0  0
    6.9878    6.5007   -0.7329 C   0  0  0  0  0
    7.1558    7.0796   -2.1149 C   0  0  0  0  0
    6.8311    8.3783   -2.1455 C   0  0  0  0  0
    6.5559    8.8014   -0.7569 C   0  0  0  0  0
    6.3358    9.9614   -0.4522 O   0  0  0  0  0
    6.6378    7.6857    0.0340 N   0  0  0  0  0
    6.5217    7.6980    1.4812 C   0  0  0  0  0
    5.1024    7.8276    1.9627 C   0  0  0  0  0
    4.3483    6.7152    2.3225 C   0  0  0  0  0
    3.0683    6.7701    2.7606 N   0  0  0  0  0
    2.5038    7.9927    2.8369 C   0  0  0  0  0
    3.1607    9.1633    2.5027 C   0  0  0  0  0
    4.4774    9.0754    2.0609 C   0  0  0  0  0
    6.7564    9.2492   -3.1881 O   0  0  0  0  0
    7.6180    6.1820   -3.2073 C   0  0  0  0  0
    7.6713    4.9730   -2.9696 O   0  0  0  0  0
    8.0115    6.6995   -4.5003 C   0  0  0  0  0
    7.9841    6.0992   -5.7463 C   0  0  0  0  0
    8.5158    7.0343   -6.6658 C   0  0  0  0  0
    8.8725    8.1392   -5.9255 C   0  0  0  0  0
    8.5989    7.9290   -4.6085 O   0  0  0  0  0
    9.4708    9.4426   -6.2749 C   0  0  0  0  0
    0.9526    1.1847   -3.9501 H   0  0  0  0  0
    0.3849    2.6690   -3.1670 H   0  0  0  0  0
    0.0207    1.0881   -2.4461 H   0  0  0  0  0
    2.8164    2.3128   -2.7530 H   0  0  0  0  0
    2.4987    0.7257   -2.0888 H   0  0  0  0  0
    1.2047    1.6711   -0.2309 H   0  0  0  0  0
    1.3575    3.3012   -0.8297 H   0  0  0  0  0
    5.4934    2.2969    0.6837 H   0  0  0  0  0
    7.2230    4.0235    0.4179 H   0  0  0  0  0
    4.3344    6.5491   -1.5729 H   0  0  0  0  0
    2.6538    4.8291   -1.3358 H   0  0  0  0  0
    7.9583    6.1443   -0.3641 H   0  0  0  0  0
    7.1009    8.5508    1.8574 H   0  0  0  0  0
    6.9932    6.7975    1.8907 H   0  0  0  0  0
    4.7579    5.7101    2.2702 H   0  0  0  0  0
    1.4753    8.0073    3.1849 H   0  0  0  0  0
    2.6614   10.1220    2.5814 H   0  0  0  0  0
    5.0116    9.9836    1.7893 H   0  0  0  0  0
    6.5388   10.1177   -2.7921 H   0  0  0  0  0
    7.6082    5.1064   -5.9548 H   0  0  0  0  0
    8.6294    6.9163   -7.7345 H   0  0  0  0  0
    9.4444   10.1334   -5.4264 H   0  0  0  0  0
    8.9243    9.9045   -7.1031 H   0  0  0  0  0
   10.5138    9.3136   -6.5789 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
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 43  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 12 13  2  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  2  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 31  1  0  0  0
 30 32  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
 32 56  1  0  0  0
M  END

>  <Chemical Name>
AC1MHCQD

>  <PubChem CID>
2949891

>  <Formula>
C25H24N2O5

>  <Molecular Weight>
432.476000

>  <IUPAC Name>
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=C(O4)C

>  <Isomeric SMILES>
CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=C(O4)C

>  <InChI Std. ID>
InChI=1S/C25H24N2O5/c1-3-13-31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(2)32-20)24(29)25(30)27(22)15-17-5-4-12-26-14-17/h4-12,14,22,29H,3,13,15H2,1-2H3

>  <InChI Key>
AGCULGAKHCAUSH-UHFFFAOYSA-N

