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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CC(C)C

Isomeric SMILES

CCCCC1=NC(=NN1CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CC(C)C

InChI

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