[3-fluoranyl-4-(2-fluoranyl-4-pentoxy-phenyl)phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [3-fluoranyl-4-(2-fluoranyl-4-pentoxy-phenyl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-4-(2-fluoro-4-pentoxy-phenyl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [3-fluoro-4-(2-fluoro-4-pentoxyphenyl)phenyl] ester IUPAC Name: [3-fluoro-4-(2-fluoro-4-pentoxyphenyl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-(4-amoxy-2-fluoro-phenyl)-3-fluoro-phenyl] ester Formula: C27H34F2O3 MolecularWeight: 444.553866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3CCC(CC3)CCC)F)F

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3CCC(CC3)CCC)F)F

InChI

InChI=1S/C27H34F2O3/c1-3-5-6-16-31-21-12-14-23(25(28)17-21)24-15-13-22(18-26(24)29)32-27(30)20-10-8-19(7-4-2)9-11-20/h12-15,17-20H,3-11,16H2,1-2H3