methyl 4-[4-bromanyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-ethoxy-5-fluoranyl-benzoate

Systemtic Name: methyl 4-[4-bromanyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-ethoxy-5-fluoranyl-benzoate Openeye Name: methyl 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-ethoxy-5-fluoro-benzoate CAS Name: 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-ethoxy-5-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-ethoxy-5-fluorobenzoate Traditional Name: 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-ethoxy-5-fluoro-benzoic acid methyl ester Formula: C14H11BrF4N2O3 MolecularWeight: 411.146353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2=NC(=C(N2)C(F)(F)F)Br)F)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2=NC(=C(N2)C(F)(F)F)Br)F)C(=O)OC

InChI

InChI=1S/C14H11BrF4N2O3/c1-3-24-9-5-6(8(16)4-7(9)13(22)23-2)12-20-10(11(15)21-12)14(17,18)19/h4-5H,3H2,1-2H3,(H,20,21)