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

Systemtic Name: 4-[[2-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(5-benzyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[[2-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(5-benzyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(5-benzyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CC2=CC=CC=C2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)CC2=CC=CC=C2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H26N4O2/c1-2-3-16-30-23(28-22(29-30)17-19-10-6-4-7-11-19)18-21-14-15-27-25(24(21)26(31)32)20-12-8-5-9-13-20/h4-15H,2-3,16-18H2,1H3,(H,31,32)