(4-propylcyclohexyl) 4-(4-butyl-2-fluoranyl-phenyl)benzoate

Systemtic Name: (4-propylcyclohexyl) 4-(4-butyl-2-fluoranyl-phenyl)benzoate Openeye Name: (4-propylcyclohexyl) 4-(4-butyl-2-fluoro-phenyl)benzoate CAS Name: 4-(4-butyl-2-fluorophenyl)benzoic acid (4-propylcyclohexyl) ester IUPAC Name: (4-propylcyclohexyl) 4-(4-butyl-2-fluorophenyl)benzoate Traditional Name: 4-(4-butyl-2-fluoro-phenyl)benzoic acid (4-propylcyclohexyl) ester Formula: C26H33FO2 MolecularWeight: 396.537423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC)F

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC)F

InChI

InChI=1S/C26H33FO2/c1-3-5-7-20-10-17-24(25(27)18-20)21-11-13-22(14-12-21)26(28)29-23-15-8-19(6-4-2)9-16-23/h10-14,17-19,23H,3-9,15-16H2,1-2H3