pentyl 4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]benzoate

Systemtic Name: pentyl 4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]benzoate Openeye Name: pentyl 4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]benzoate CAS Name: 4-[4-(4-butylcyclohexyl)-2-fluorophenyl]benzoic acid pentyl ester IUPAC Name: pentyl 4-[4-(4-butylcyclohexyl)-2-fluorophenyl]benzoate Traditional Name: 4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]benzoic acid amyl ester Formula: C28H37FO2 MolecularWeight: 424.590583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3CCC(CC3)CCCC)F

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3CCC(CC3)CCCC)F

InChI

InChI=1S/C28H37FO2/c1-3-5-7-19-31-28(30)24-15-13-23(14-16-24)26-18-17-25(20-27(26)29)22-11-9-21(10-12-22)8-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3