
 CHEMBL2047160

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2047160

>  <PubChem CID>
57414540

>  <Formula>
C32H35NO6

>  <Molecular Weight>
529.633000

>  <IUPAC Name>
2-[(3S)-6-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCCCN5CCCC5=O

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OCCCN5CCCC5=O

>  <InChI Std. ID>
InChI=1S/C32H35NO6/c1-21-14-27(37-13-5-12-33-11-4-8-30(33)34)15-22(2)32(21)24-7-3-6-23(16-24)19-38-26-9-10-28-25(17-31(35)36)20-39-29(28)18-26/h3,6-7,9-10,14-16,18,25H,4-5,8,11-13,17,19-20H2,1-2H3,(H,35,36)/t25-/m1/s1

>  <InChI Key>
BBWSUMXKRYUIHW-RUZDIDTESA-N

