
 CHEMBL98433

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M  END

>  <Chemical Name>
CHEMBL98433

>  <PubChem CID>
10547383

>  <Formula>
C20H20ClNO4

>  <Molecular Weight>
373.833000

>  <IUPAC Name>
N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-chlorobenzamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC=CC=C3Cl)O)(C)C

>  <Isomeric SMILES>
CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2NC(=O)C3=CC=CC=C3Cl)O)(C)C

>  <InChI Std. ID>
InChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1

>  <InChI Key>
KMBXNPJEKNKOQQ-ZWKOTPCHSA-N

