[4-(4-octoxyphenyl)phenyl] 3-fluoranyl-3-pentyl-cyclobutane-1-carboxylate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-fluoranyl-3-pentyl-cyclobutane-1-carboxylate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-fluoro-3-pentyl-cyclobutanecarboxylate CAS Name: 3-fluoro-3-pentyl-1-cyclobutanecarboxylic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-fluoro-3-pentylcyclobutane-1-carboxylate Traditional Name: 3-amyl-3-fluoro-cyclobutanecarboxylic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C30H41FO3 MolecularWeight: 468.643143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CC(C3)(CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CC(C3)(CCCCC)F

InChI

InChI=1S/C30H41FO3/c1-3-5-7-8-9-11-21-33-27-16-12-24(13-17-27)25-14-18-28(19-15-25)34-29(32)26-22-30(31,23-26)20-10-6-4-2/h12-19,26H,3-11,20-23H2,1-2H3