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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-octoxypyridin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-octoxy-2-pyridyl)benzoate CAS Name: 4-(5-octoxy-2-pyridinyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(5-octoxypyridin-2-yl)benzoate Traditional Name: 4-(5-octoxy-2-pyridyl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C27H36F3NO4 MolecularWeight: 495.57425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C27H36F3NO4/c1-3-5-7-8-9-10-18-34-23-15-16-24(31-19-23)21-11-13-22(14-12-21)26(32)35-25(27(28,29)30)20-33-17-6-4-2/h11-16,19,25H,3-10,17-18,20H2,1-2H3