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

Systemtic Name: pentyl 4-[2-fluoranyl-4-(4-propylcyclohexyl)phenyl]benzoate Openeye Name: pentyl 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoate CAS Name: 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoic acid pentyl ester IUPAC Name: pentyl 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoate Traditional Name: 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoic acid amyl ester Formula: C27H35FO2 MolecularWeight: 410.564003

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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)CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO2/c1-3-5-6-18-30-27(29)23-14-12-22(13-15-23)25-17-16-24(19-26(25)28)21-10-8-20(7-4-2)9-11-21/h12-17,19-21H,3-11,18H2,1-2H3