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

Systemtic Name: 4-[(2-butyl-5-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[(2-butyl-5-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[(2-butyl-5-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(2-butyl-5-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[(2-butyl-5-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-picolinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-5-6-14-27-18(25-22(26-27)23(2,3)4)15-17-12-13-24-20(21(28)29)19(17)16-10-8-7-9-11-16/h7-13H,5-6,14-15H2,1-4H3,(H,28,29)