1-[4-(3-fluoranyl-4-octoxy-phenyl)phenoxy]propan-2-yl 5-methylheptanoate

Systemtic Name: 1-[4-(3-fluoranyl-4-octoxy-phenyl)phenoxy]propan-2-yl 5-methylheptanoate Openeye Name: [2-[4-(3-fluoro-4-octoxy-phenyl)phenoxy]-1-methyl-ethyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid 1-[4-(3-fluoro-4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(3-fluoro-4-octoxyphenyl)phenoxy]propan-2-yl 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-[4-(3-fluoro-4-octoxy-phenyl)phenoxy]-1-methyl-ethyl] ester Formula: C31H45FO4 MolecularWeight: 500.685003

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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(C)CC)F

Isomeric SMILES

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

InChI

InChI=1S/C31H45FO4/c1-5-7-8-9-10-11-21-34-30-20-17-27(22-29(30)32)26-15-18-28(19-16-26)35-23-25(4)36-31(33)14-12-13-24(3)6-2/h15-20,22,24-25H,5-14,21,23H2,1-4H3