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

Systemtic Name: 3-[(5-tert-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-tert-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-tert-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-tert-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-amyl-5-tert-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic 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=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(C)(C)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

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