
 SCHEMBL707461

 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL707461

>  <PubChem CID>
66774667

>  <Formula>
C28H30FNO5

>  <Molecular Weight>
479.548000

>  <IUPAC Name>
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[3-(3-fluorophenyl)propyl]amino]methyl]phenyl]acetic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1OC)C(=O)N(CCCC2=CC(=CC=C2)F)CC3=CC=C(C=C3)CC(=O)O)OC

>  <Isomeric SMILES>
CC1=C(C=C(C=C1OC)C(=O)N(CCCC2=CC(=CC=C2)F)CC3=CC=C(C=C3)CC(=O)O)OC

>  <InChI Std. ID>
InChI=1S/C28H30FNO5/c1-19-25(34-2)16-23(17-26(19)35-3)28(33)30(13-5-7-20-6-4-8-24(29)14-20)18-22-11-9-21(10-12-22)15-27(31)32/h4,6,8-12,14,16-17H,5,7,13,15,18H2,1-3H3,(H,31,32)

>  <InChI Key>
HAUKBMHPQBUOMW-UHFFFAOYSA-N

