4-[2-(5'-oxidanylidenespiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-yl)ethoxy-[4-(trifluoromethyl)phenyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[2-(5'-oxidanylidenespiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-yl)ethoxy-[4-(trifluoromethyl)phenyl]methyl]benzenecarbonitrile Openeye Name: 4-[2-(5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-tetrahydrofuran]-8-yl)ethoxy-[4-(trifluoromethyl)phenyl]methyl]benzonitrile CAS Name: 4-[2-(5'-oxo-8-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]yl)ethoxy-[4-(trifluoromethyl)phenyl]methyl]benzonitrile IUPAC Name: 4-[2-(5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-yl)ethoxy-[4-(trifluoromethyl)phenyl]methyl]benzonitrile Traditional Name: 4-[2-(5'-ketospiro[8-azabicyclo[3.2.1]octane-3,2'-tetrahydrofuran]-8-yl)ethoxy-[4-(trifluoromethyl)phenyl]methyl]benzonitrile Formula: C27H27F3N2O3 MolecularWeight: 484.51009

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC3(CCC(=O)O3)CC1N2CCOC(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CC2CC3(CCC(=O)O3)CC1N2CCOC(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C27H27F3N2O3/c28-27(29,30)21-7-5-20(6-8-21)25(19-3-1-18(17-31)2-4-19)34-14-13-32-22-9-10-23(32)16-26(15-22)12-11-24(33)35-26/h1-8,22-23,25H,9-16H2