
 BAS 05541665

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    0.1202    1.1545   -1.9766 C   0  0  0  0  0
    0.8984    2.2697   -2.5061 N   0  0  0  0  0
    2.2025    2.0894   -3.1358 C   0  0  0  0  0
    2.6966    3.5105   -3.1903 C   0  0  0  0  0
    1.8290    4.3689   -2.6410 C   0  0  0  0  0
    0.6760    3.5792   -2.1551 C   0  0  0  0  0
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M  END

>  <Chemical Name>
BAS 05541665

>  <PubChem CID>
3152554

>  <Formula>
C20H17Cl2NO5

>  <Molecular Weight>
422.258000

>  <IUPAC Name>
2-(2,4-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(OC1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CC(OC1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H17Cl2NO5/c21-11-5-6-13(14(22)9-11)17-16(18(24)15-4-2-8-28-15)19(25)20(26)23(17)10-12-3-1-7-27-12/h2,4-6,8-9,12,17,25H,1,3,7,10H2

>  <InChI Key>
AJHCXYJZHMTSGC-UHFFFAOYSA-N

