
 CHEMBL3589839

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3589839

>  <PubChem CID>
122181144

>  <Formula>
C26H28F6N2O2

>  <Molecular Weight>
514.512000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1COC2(CCN(CC2)CCCC(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C41

>  <Isomeric SMILES>
C1COC2(CCN(CC2)CCCC(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C26H28F6N2O2/c27-25(28,29)20-14-18(15-21(16-20)26(30,31)32)17-33-23(35)6-3-10-34-11-8-24(9-12-34)22-5-2-1-4-19(22)7-13-36-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,33,35)

>  <InChI Key>
LLKRKXJNMABFNP-UHFFFAOYSA-N

