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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(C)(C)C)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(C)(C)C)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-5-6-10-15-28-19(26-23(27-28)24(2,3)4)16-18-13-14-25-21(20(18)22(29)30)17-11-8-7-9-12-17/h7-9,11-14H,5-6,10,15-16H2,1-4H3,(H,29,30)