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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-heptoxypyridin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-heptoxy-2-pyridyl)benzoate CAS Name: 4-(5-heptoxy-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-heptoxypyridin-2-yl)benzoate Traditional Name: 4-(5-heptoxy-2-pyridyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C24H30F3NO4 MolecularWeight: 453.49451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30F3NO4/c1-3-5-6-7-8-15-31-20-13-14-21(28-16-20)18-9-11-19(12-10-18)23(29)32-22(17-30-4-2)24(25,26)27/h9-14,16,22H,3-8,15,17H2,1-2H3