
 CHEMBL3927774

 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3927774

>  <PubChem CID>
117903014

>  <Formula>
C27H27NO5

>  <Molecular Weight>
445.515000

>  <IUPAC Name>
4-[[cyclopropylmethyl-[4-(2-ethoxyphenoxy)benzoyl]amino]methyl]benzoic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)N(CC3CC3)CC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
CCOC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)N(CC3CC3)CC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C27H27NO5/c1-2-32-24-5-3-4-6-25(24)33-23-15-13-21(14-16-23)26(29)28(17-19-7-8-19)18-20-9-11-22(12-10-20)27(30)31/h3-6,9-16,19H,2,7-8,17-18H2,1H3,(H,30,31)

>  <InChI Key>
ONGMIZHEZHGEOT-UHFFFAOYSA-N

