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

Systemtic Name: 2-[5-[(2-butyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(2-butyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(2-butyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(2-butyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(2-butyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H24N4O2/c1-2-3-15-29-23(27-24(28-29)19-9-5-4-6-10-19)16-18-13-14-22(26-17-18)20-11-7-8-12-21(20)25(30)31/h4-14,17H,2-3,15-16H2,1H3,(H,30,31)