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

Systemtic Name: 1-[2-fluoranyl-4-(4-pentylphenyl)phenoxy]propan-2-yl pentanoate Openeye Name: [2-[2-fluoro-4-(4-pentylphenyl)phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[2-fluoro-4-(4-pentylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(4-pentylphenyl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-(4-amylphenyl)-2-fluoro-phenoxy]-1-methyl-ethyl] ester Formula: C25H33FO3 MolecularWeight: 400.526123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

InChI

InChI=1S/C25H33FO3/c1-4-6-8-9-20-11-13-21(14-12-20)22-15-16-24(23(26)17-22)28-18-19(3)29-25(27)10-7-5-2/h11-17,19H,4-10,18H2,1-3H3