
 5-[4-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.4376   -0.2980   -2.4071 C   0  0  0  0  0
    2.9639    0.9282   -2.5152 C   0  0  0  0  0
    2.3501    2.1721   -1.9401 C   0  0  0  0  0
    3.0183    2.5245   -0.7279 O   0  0  0  0  0
    4.1745    3.2423   -0.8399 C   0  0  0  0  0
    5.1896    2.8833    0.0459 C   0  0  0  0  0
    6.3970    3.5835    0.0615 C   0  0  0  0  0
    6.6018    4.6723   -0.8006 C   0  0  0  0  0
    5.5650    5.0333   -1.6786 C   0  0  0  0  0
    4.3566    4.3275   -1.6921 C   0  0  0  0  0
    7.9075    5.4406   -0.7391 C   0  0  0  0  0
    8.6331    5.6062   -2.0453 C   0  0  0  0  0
    8.7497    6.8931   -2.3913 C   0  0  0  0  0
    8.2100    7.7020   -1.2784 C   0  0  0  0  0
    8.2756    8.9177   -1.2532 O   0  0  0  0  0
    7.6945    6.8272   -0.3533 N   0  0  0  0  0
    7.1465    7.2288    0.9300 C   0  0  0  0  0
    5.7657    7.8174    0.8254 C   0  0  0  0  0
    4.6259    7.0468    1.0297 C   0  0  0  0  0
    3.3596    7.5173    0.9348 N   0  0  0  0  0
    3.2174    8.8198    0.6136 C   0  0  0  0  0
    4.2811    9.6753    0.3905 C   0  0  0  0  0
    5.5705    9.1638    0.4996 C   0  0  0  0  0
    9.2649    7.4597   -3.5167 O   0  0  0  0  0
    9.1132    4.4068   -2.7780 C   0  0  0  0  0
    8.6014    3.3191   -2.5104 O   0  0  0  0  0
   10.1768    4.5085   -3.7551 C   0  0  0  0  0
   10.4669    3.7102   -4.8477 C   0  0  0  0  0
   11.6425    4.2317   -5.4367 C   0  0  0  0  0
   12.0221    5.2938   -4.6512 C   0  0  0  0  0
   11.1551    5.4563   -3.6185 O   0  0  0  0  0
    2.9371   -1.1581   -2.8416 H   0  0  0  0  0
    1.5155   -0.4753   -1.8598 H   0  0  0  0  0
    3.9021    1.0587   -3.0510 H   0  0  0  0  0
    1.3018    1.9880   -1.6767 H   0  0  0  0  0
    2.3343    2.9747   -2.6839 H   0  0  0  0  0
    5.0393    2.0466    0.7235 H   0  0  0  0  0
    7.1744    3.2678    0.7542 H   0  0  0  0  0
    5.6738    5.8898   -2.3402 H   0  0  0  0  0
    3.5643    4.6748   -2.3459 H   0  0  0  0  0
    8.5882    4.9999   -0.0005 H   0  0  0  0  0
    7.8196    7.9795    1.3647 H   0  0  0  0  0
    7.1549    6.3714    1.6130 H   0  0  0  0  0
    4.6909    5.9907    1.2808 H   0  0  0  0  0
    2.1917    9.1690    0.5367 H   0  0  0  0  0
    4.1130   10.7151    0.1337 H   0  0  0  0  0
    6.4211    9.8182    0.3224 H   0  0  0  0  0
    9.2239    8.4265   -3.3669 H   0  0  0  0  0
    9.8826    2.8607   -5.1741 H   0  0  0  0  0
   12.1544    3.8742   -6.3180 H   0  0  0  0  0
   12.8430    5.9957   -4.6856 H   0  0  0  0  0
  1  2  2  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
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M  END

>  <Chemical Name>
5-[4-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

>  <PubChem CID>
2911378

>  <Formula>
C24H20N2O5

>  <Molecular Weight>
416.433000

>  <IUPAC Name>
3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4

>  <Isomeric SMILES>
C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C24H20N2O5/c1-2-12-30-18-9-7-17(8-10-18)21-20(22(27)19-6-4-13-31-19)23(28)24(29)26(21)15-16-5-3-11-25-14-16/h2-11,13-14,21,28H,1,12,15H2

>  <InChI Key>
CHDCBILKDYWOOU-UHFFFAOYSA-N

