
 CHEMBL53804

 63 65  0  0  0  0  0  0  0  0999 V2000
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    9.2190   -0.3884    3.1416 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL53804

>  <PubChem CID>
14347369

>  <Formula>
C28H30N2O3

>  <Molecular Weight>
442.559000

>  <IUPAC Name>
(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1C(=CC=CC(=O)NCCCCC2=CN=CC=C2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
COC1=CC=CC=C1C(=C/C=C/C(=O)NCCCCC2=CN=CC=C2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C28H30N2O3/c1-32-26-16-5-3-13-24(26)23(25-14-4-6-17-27(25)33-2)15-9-18-28(31)30-20-8-7-11-22-12-10-19-29-21-22/h3-6,9-10,12-19,21H,7-8,11,20H2,1-2H3,(H,30,31)/b18-9+

>  <InChI Key>
CPGHLTGASAARCO-GIJQJNRQSA-N

