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

Systemtic Name: 1-[4-(3-fluoranyl-4-octoxy-phenyl)phenoxy]propan-2-yl pentanoate Openeye Name: [2-[4-(3-fluoro-4-octoxy-phenyl)phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(3-fluoro-4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(3-fluoro-4-octoxyphenyl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-(3-fluoro-4-octoxy-phenyl)phenoxy]-1-methyl-ethyl] ester Formula: C28H39FO4 MolecularWeight: 458.605263

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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)CCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H39FO4/c1-4-6-8-9-10-11-19-31-27-18-15-24(20-26(27)29)23-13-16-25(17-14-23)32-21-22(3)33-28(30)12-7-5-2/h13-18,20,22H,4-12,19,21H2,1-3H3