2-[5-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2H-pyridin-1-yl]benzoic acid

Systemtic Name: 2-[5-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2H-pyridin-1-yl]benzoic acid Openeye Name: 2-[5-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2H-pyridin-1-yl]benzoic acid CAS Name: 2-[5-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2H-pyridin-1-yl]benzoic acid IUPAC Name: 2-[5-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2H-pyridin-1-yl]benzoic acid Traditional Name: 2-[5-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2H-pyridin-1-yl]benzoic acid Formula: C24H24N4O2 MolecularWeight: 400.47296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1CC2=CN(CC=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NN1CC2=CN(CC=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2/c1-2-9-22-25-23(19-11-4-3-5-12-19)26-28(22)17-18-10-8-15-27(16-18)21-14-7-6-13-20(21)24(29)30/h3-8,10-14,16H,2,9,15,17H2,1H3,(H,29,30)