4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azocane

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azocane Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azocane CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazocane IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazocane Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-4-phenyl-azocane Formula: C23H25F6NO MolecularWeight: 445.441119

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCCC(C1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CCNCCC(C1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-5-10-30-11-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2