
 CHEMBL3589847

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3589847

>  <PubChem CID>
122181153

>  <Formula>
C31H31F5N2O2

>  <Molecular Weight>
558.593000

>  <IUPAC Name>
2-(4-fluorophenyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1COC2(CCN(CC2)CCC(C3=CC=C(C=C3)F)C(=O)NCC4=CC(=CC(=C4)F)C(F)(F)F)C5=CC=CC=C51

>  <Isomeric SMILES>
C1COC2(CCN(CC2)CCC(C3=CC=C(C=C3)F)C(=O)NCC4=CC(=CC(=C4)F)C(F)(F)F)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C31H31F5N2O2/c32-25-7-5-22(6-8-25)27(29(39)37-20-21-17-24(31(34,35)36)19-26(33)18-21)9-13-38-14-11-30(12-15-38)28-4-2-1-3-23(28)10-16-40-30/h1-8,17-19,27H,9-16,20H2,(H,37,39)

>  <InChI Key>
PPJHFLILDOHJMC-UHFFFAOYSA-N

