1-[2-fluoranyl-4-(5-octylpyridin-2-yl)phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[2-fluoranyl-4-(5-octylpyridin-2-yl)phenoxy]propan-2-yl pentanoate Openeye Name: [2-[2-fluoro-4-(5-octyl-2-pyridyl)phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[2-fluoro-4-(5-octyl-2-pyridinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(5-octylpyridin-2-yl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[2-fluoro-4-(5-octyl-2-pyridyl)phenoxy]-1-methyl-ethyl] ester Formula: C27H38FNO3 MolecularWeight: 443.593923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

InChI

InChI=1S/C27H38FNO3/c1-4-6-8-9-10-11-12-22-14-16-25(29-19-22)23-15-17-26(24(28)18-23)31-20-21(3)32-27(30)13-7-5-2/h14-19,21H,4-13,20H2,1-3H3