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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-heptoxypyridin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(5-heptoxy-2-pyridyl)benzoate CAS Name: 4-(5-heptoxy-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-heptoxypyridin-2-yl)benzoate Traditional Name: 4-(5-heptoxy-2-pyridyl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C23H28F3NO4 MolecularWeight: 439.46793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

InChI

InChI=1S/C23H28F3NO4/c1-3-4-5-6-7-14-30-19-12-13-20(27-15-19)17-8-10-18(11-9-17)22(28)31-21(16-29-2)23(24,25)26/h8-13,15,21H,3-7,14,16H2,1-2H3