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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)CCCC

Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)CCCC

InChI

InChI=1S/C24H30N4O2/c1-3-5-7-10-21-26-22(28(27-21)16-6-4-2)17-18-11-13-19(14-12-18)20-9-8-15-25-23(20)24(29)30/h8-9,11-15H,3-7,10,16-17H2,1-2H3,(H,29,30)