[5-(butylamino)-4-propoxy-3-(trifluoromethyl)pyridin-2-yl] 3,5-dimethoxybenzoate

Systemtic Name: [5-(butylamino)-4-propoxy-3-(trifluoromethyl)pyridin-2-yl] 3,5-dimethoxybenzoate Openeye Name: [5-(butylamino)-4-propoxy-3-(trifluoromethyl)-2-pyridyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [5-(butylamino)-4-propoxy-3-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: [5-(butylamino)-4-propoxy-3-(trifluoromethyl)pyridin-2-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [5-(butylamino)-4-propoxy-3-(trifluoromethyl)-2-pyridyl] ester Formula: C22H27F3N2O5 MolecularWeight: 456.45539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CN=C(C(=C1OCCC)C(F)(F)F)OC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCCCNC1=CN=C(C(=C1OCCC)C(F)(F)F)OC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H27F3N2O5/c1-5-7-8-26-17-13-27-20(18(22(23,24)25)19(17)31-9-6-2)32-21(28)14-10-15(29-3)12-16(11-14)30-4/h10-13,26H,5-9H2,1-4H3