1-[4-(3-fluoranyl-4-octoxy-phenyl)phenoxy]propan-2-yl butanoate

Systemtic Name: 1-[4-(3-fluoranyl-4-octoxy-phenyl)phenoxy]propan-2-yl butanoate Openeye Name: [2-[4-(3-fluoro-4-octoxy-phenyl)phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-(3-fluoro-4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(3-fluoro-4-octoxyphenyl)phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-(3-fluoro-4-octoxy-phenyl)phenoxy]-1-methyl-ethyl] ester Formula: C27H37FO4 MolecularWeight: 444.578683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FO4/c1-4-6-7-8-9-10-18-30-26-17-14-23(19-25(26)28)22-12-15-24(16-13-22)31-20-21(3)32-27(29)11-5-2/h12-17,19,21H,4-11,18,20H2,1-3H3