2-[5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid

Systemtic Name: 2-[5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)CC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)CC

InChI

InChI=1S/C21H24N4O2/c1-3-5-10-20-23-19(4-2)24-25(20)14-15-11-12-18(22-13-15)16-8-6-7-9-17(16)21(26)27/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,26,27)