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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-hexylpyridin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-hexyl-2-pyridyl)benzoate CAS Name: 4-(5-hexyl-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-hexylpyridin-2-yl)benzoate Traditional Name: 4-(5-hexyl-2-pyridyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C23H28F3NO3 MolecularWeight: 423.46853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C23H28F3NO3/c1-3-5-6-7-8-17-9-14-20(27-15-17)18-10-12-19(13-11-18)22(28)30-21(16-29-4-2)23(24,25)26/h9-15,21H,3-8,16H2,1-2H3