1-[2-fluoranyl-4-(4-octoxyphenyl)phenyl]ethyl 3-methylpentanoate

Systemtic Name: 1-[2-fluoranyl-4-(4-octoxyphenyl)phenyl]ethyl 3-methylpentanoate Openeye Name: 1-[2-fluoro-4-(4-octoxyphenyl)phenyl]ethyl 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[2-fluoro-4-(4-octoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-fluoro-4-(4-octoxyphenyl)phenyl]ethyl 3-methylpentanoate Traditional Name: 3-methylvaleric acid 1-[2-fluoro-4-(4-octoxyphenyl)phenyl]ethyl ester Formula: C28H39FO3 MolecularWeight: 442.605863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39FO3/c1-5-7-8-9-10-11-18-31-25-15-12-23(13-16-25)24-14-17-26(27(29)20-24)22(4)32-28(30)19-21(3)6-2/h12-17,20-22H,5-11,18-19H2,1-4H3