1-[2-fluoranyl-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate

Systemtic Name: 1-[2-fluoranyl-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate Openeye Name: 1-[2-fluoro-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-[2-fluoro-4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-fluoro-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 1-[2-fluoro-4-(4-octylphenyl)phenyl]ethyl ester Formula: C27H37FO2 MolecularWeight: 412.579883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)F

InChI

InChI=1S/C27H37FO2/c1-5-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-18-25(26(28)19-24)21(4)30-27(29)20(3)6-2/h13-21H,5-12H2,1-4H3