[3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-octylpyridin-2-yl)benzoate

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-octylpyridin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-octyl-2-pyridyl)benzoate CAS Name: 4-(5-octyl-2-pyridinyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(5-octylpyridin-2-yl)benzoate Traditional Name: 4-(5-octyl-2-pyridyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C25H32F3NO3 MolecularWeight: 451.52169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32F3NO3/c1-3-5-6-7-8-9-10-19-11-16-22(29-17-19)20-12-14-21(15-13-20)24(30)32-23(18-31-4-2)25(26,27)28/h11-17,23H,3-10,18H2,1-2H3