1-[5-(butylamino)-3-fluoranyl-4-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate

Systemtic Name: 1-[5-(butylamino)-3-fluoranyl-4-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate Openeye Name: [2-[[5-(butylamino)-3-fluoro-4-(trifluoromethyl)-2-pyridyl]oxy]-1-methyl-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 1-[[5-(butylamino)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(butylamino)-3-fluoro-4-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[[5-(butylamino)-3-fluoro-4-(trifluoromethyl)-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C21H24F4N2O4 MolecularWeight: 444.419873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CN=C(C(=C1C(F)(F)F)F)OCC(C)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC1=CN=C(C(=C1C(F)(F)F)F)OCC(C)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24F4N2O4/c1-4-5-10-26-16-11-27-19(18(22)17(16)21(23,24)25)30-12-13(2)31-20(28)14-6-8-15(29-3)9-7-14/h6-9,11,13,26H,4-5,10,12H2,1-3H3