
 CHEMBL3936755

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3936755

>  <PubChem CID>
117903349

>  <Formula>
C31H29NO5

>  <Molecular Weight>
495.575000

>  <IUPAC Name>
4-[[[4-(2-methoxyphenoxy)benzoyl]-(3-phenylpropyl)amino]methyl]benzoic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
COC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H29NO5/c1-36-28-11-5-6-12-29(28)37-27-19-17-25(18-20-27)30(33)32(21-7-10-23-8-3-2-4-9-23)22-24-13-15-26(16-14-24)31(34)35/h2-6,8-9,11-20H,7,10,21-22H2,1H3,(H,34,35)

>  <InChI Key>
SVXWWGNELSAEBU-UHFFFAOYSA-N

