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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCCC

Isomeric SMILES

CCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCCC

InChI

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