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

Systemtic Name: 3-[[2-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-butyl-5-isobutyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[[2-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[[2-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-butyl-5-isobutyl-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)CC(C)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-4-5-13-27-21(25-20(26-27)14-16(2)3)15-19-18(23(28)29)11-12-24-22(19)17-9-7-6-8-10-17/h6-12,16H,4-5,13-15H2,1-3H3,(H,28,29)