2-(2-methylpropoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 2-(2-methylpropoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 2-isobutoxy-5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]benzoic acid CAS Name: 2-(2-methylpropoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 2-(2-methylpropoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 2-isobutoxy-5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]benzoic acid Formula: C19H20N4O3 MolecularWeight: 352.3871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC(C)C)C(=O)O

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC(C)C)C(=O)O

InChI

InChI=1S/C19H20N4O3/c1-11(2)10-26-16-5-4-13(9-15(16)19(24)25)17-21-18(23-22-17)14-6-7-20-12(3)8-14/h4-9,11H,10H2,1-3H3,(H,24,25)(H,21,22,23)