
 CHEMBL3809862

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M  END

>  <Chemical Name>
CHEMBL3809862

>  <PubChem CID>
127045334

>  <Formula>
C19H19Cl2NO4

>  <Molecular Weight>
396.264000

>  <IUPAC Name>
4,6-dichloro-3-[(E)-3-(cyclohexylmethoxy)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)COC(=O)C=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

>  <Isomeric SMILES>
C1CCC(CC1)COC(=O)/C=C/C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

>  <InChI Std. ID>
InChI=1S/C19H19Cl2NO4/c20-12-8-14(21)17-13(18(19(24)25)22-15(17)9-12)6-7-16(23)26-10-11-4-2-1-3-5-11/h6-9,11,22H,1-5,10H2,(H,24,25)/b7-6+

>  <InChI Key>
BDPPRLOWCQYONG-VOTSOKGWSA-N

