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

Systemtic Name: 3-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(3-amyl-5-butyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-isonicotinic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CCCC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=NN(C(=N1)CCCC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-3-5-8-13-21-26-22(14-6-4-2)28(27-21)17-20-19(24(29)30)15-16-25-23(20)18-11-9-7-10-12-18/h7,9-12,15-16H,3-6,8,13-14,17H2,1-2H3,(H,29,30)