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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-hexoxypyridin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(5-hexoxy-2-pyridyl)benzoate CAS Name: 4-(5-hexoxy-2-pyridinyl)benzoic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 4-(5-hexoxypyridin-2-yl)benzoate Traditional Name: 4-(5-hexoxy-2-pyridyl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C22H26F3NO4 MolecularWeight: 425.44135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

InChI

InChI=1S/C22H26F3NO4/c1-3-4-5-6-13-29-18-11-12-19(26-14-18)16-7-9-17(10-8-16)21(27)30-20(15-28-2)22(23,24)25/h7-12,14,20H,3-6,13,15H2,1-2H3