[4-(3-fluoranyl-4-hexoxy-phenyl)phenyl] 3-butyl-3-fluoranyl-cyclobutane-1-carboxylate

Systemtic Name: [4-(3-fluoranyl-4-hexoxy-phenyl)phenyl] 3-butyl-3-fluoranyl-cyclobutane-1-carboxylate Openeye Name: [4-(3-fluoro-4-hexoxy-phenyl)phenyl] 3-butyl-3-fluoro-cyclobutanecarboxylate CAS Name: 3-butyl-3-fluoro-1-cyclobutanecarboxylic acid [4-(3-fluoro-4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-hexoxyphenyl)phenyl] 3-butyl-3-fluorocyclobutane-1-carboxylate Traditional Name: 3-butyl-3-fluoro-cyclobutanecarboxylic acid [4-(3-fluoro-4-hexoxy-phenyl)phenyl] ester Formula: C27H34F2O3 MolecularWeight: 444.553866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CC(C3)(CCCC)F)F

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CC(C3)(CCCC)F)F

InChI

InChI=1S/C27H34F2O3/c1-3-5-7-8-16-31-25-14-11-21(17-24(25)28)20-9-12-23(13-10-20)32-26(30)22-18-27(29,19-22)15-6-4-2/h9-14,17,22H,3-8,15-16,18-19H2,1-2H3