1-[2-fluoranyl-4-(4-pentylphenyl)phenoxy]propan-2-yl heptanoate

Systemtic Name: 1-[2-fluoranyl-4-(4-pentylphenyl)phenoxy]propan-2-yl heptanoate Openeye Name: [2-[2-fluoro-4-(4-pentylphenyl)phenoxy]-1-methyl-ethyl] heptanoate CAS Name: heptanoic acid 1-[2-fluoro-4-(4-pentylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(4-pentylphenyl)phenoxy]propan-2-yl heptanoate Traditional Name: enanthic acid [2-[4-(4-amylphenyl)-2-fluoro-phenoxy]-1-methyl-ethyl] ester Formula: C27H37FO3 MolecularWeight: 428.579283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)COC1=C(C=C(C=C1)C2=CC=C(C=C2)CCCCC)F

Isomeric SMILES

CCCCCCC(=O)OC(C)COC1=C(C=C(C=C1)C2=CC=C(C=C2)CCCCC)F

InChI

InChI=1S/C27H37FO3/c1-4-6-8-10-12-27(29)31-21(3)20-30-26-18-17-24(19-25(26)28)23-15-13-22(14-16-23)11-9-7-5-2/h13-19,21H,4-12,20H2,1-3H3