2-[4-[3,5-bis(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propyl octanoate

Systemtic Name: 2-[4-[3,5-bis(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propyl octanoate Openeye Name: 2-[4-[[3,5-bis(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propyl octanoate CAS Name: octanoic acid 2-[4-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propyl ester IUPAC Name: 2-[4-[3,5-bis(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propyl octanoate Traditional Name: caprylic acid 2-[4-[[3,5-bis(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propyl ester Formula: C24H27F6NO4 MolecularWeight: 507.465899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)OCC(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H27F6NO4/c1-3-4-5-6-7-8-21(32)33-15-16(2)34-18-9-11-19(12-10-18)35-22-20(24(28,29)30)13-17(14-31-22)23(25,26)27/h9-14,16H,3-8,15H2,1-2H3