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

Systemtic Name: 5-(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[2-butyl-5-(1-oxobutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-(2-butyl-5-butyryl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-isonicotinic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CCC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CCC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-4-6-13-27-22(25-21(26-27)18(28)10-5-2)17-14-24-20(15(3)19(17)23(29)30)16-11-8-7-9-12-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H,29,30)