[4-(2-methylbutanoyl)-3-oxidanyl-phenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(2-methylbutanoyl)-3-oxidanyl-phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [3-hydroxy-4-(2-methylbutanoyl)phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [3-hydroxy-4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [3-hydroxy-4-(2-methylbutanoyl)phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [3-hydroxy-4-(2-methylbutanoyl)phenyl] ester Formula: C26H33FO5 MolecularWeight: 444.535623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)C(C)CC)O)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)C(C)CC)O)F

InChI

InChI=1S/C26H33FO5/c1-4-6-7-8-9-10-15-31-24-14-11-19(16-22(24)27)26(30)32-20-12-13-21(23(28)17-20)25(29)18(3)5-2/h11-14,16-18,28H,4-10,15H2,1-3H3