4-[[2-butyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 4-[[2-butyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(2-butyl-5-isopentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[[2-butyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[[2-butyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(2-butyl-5-isoamyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CCC(C)C)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)CCC(C)C)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-4-5-15-28-21(26-20(27-28)12-11-17(2)3)16-19-13-14-25-23(22(19)24(29)30)18-9-7-6-8-10-18/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3,(H,29,30)