hexadecyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate

Systemtic Name: hexadecyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate Openeye Name: hexadecyl 2-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoate CAS Name: 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate Traditional Name: 2-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propionic acid cetyl ester Formula: C31H44F3NO4 MolecularWeight: 551.68057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C31H44F3NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-37-30(36)25(2)38-27-18-20-28(21-19-27)39-29-22-17-26(24-35-29)31(32,33)34/h17-22,24-25H,3-16,23H2,1-2H3