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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(C)(C)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C(C)(C)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

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