
 MLS001177315

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M  END

>  <Chemical Name>
MLS001177315

>  <PubChem CID>
9166749

>  <Formula>
C25H26N2O4

>  <Molecular Weight>
418.493000

>  <IUPAC Name>
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(CC1=C(C(=CC=C1)OC)OC)C(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H26N2O4/c1-27(17-21-10-7-11-22(30-2)24(21)31-3)23(28)16-26-25(29)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,26,29)

>  <InChI Key>
CZYJLQYRCXIZPK-UHFFFAOYSA-N

