1-butyl-4-[2-(4-ethoxy-2-fluoranyl-phenyl)phenyl]bicyclo[2.2.2]octane

Systemtic Name: 1-butyl-4-[2-(4-ethoxy-2-fluoranyl-phenyl)phenyl]bicyclo[2.2.2]octane Openeye Name: 1-butyl-4-[2-(4-ethoxy-2-fluoro-phenyl)phenyl]bicyclo[2.2.2]octane CAS Name: 1-butyl-4-[2-(4-ethoxy-2-fluorophenyl)phenyl]bicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-[2-(4-ethoxy-2-fluorophenyl)phenyl]bicyclo[2.2.2]octane Traditional Name: 1-butyl-4-[2-(4-ethoxy-2-fluoro-phenyl)phenyl]bicyclo[2.2.2]octane Formula: C26H33FO MolecularWeight: 380.538023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=C(C=C(C=C4)OCC)F

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=C(C=C(C=C4)OCC)F

InChI

InChI=1S/C26H33FO/c1-3-5-12-25-13-16-26(17-14-25,18-15-25)23-9-7-6-8-21(23)22-11-10-20(28-4-2)19-24(22)27/h6-11,19H,3-5,12-18H2,1-2H3