
 CHEMBL3920547

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3920547

>  <PubChem CID>
117903652

>  <Formula>
C30H27NO4

>  <Molecular Weight>
465.549000

>  <IUPAC Name>
4-[[benzyl-[4-(2,6-dimethylphenoxy)benzoyl]amino]methyl]benzoic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C30H27NO4/c1-21-7-6-8-22(2)28(21)35-27-17-15-25(16-18-27)29(32)31(19-23-9-4-3-5-10-23)20-24-11-13-26(14-12-24)30(33)34/h3-18H,19-20H2,1-2H3,(H,33,34)

>  <InChI Key>
AFZOCQFROPJVCM-UHFFFAOYSA-N

