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

Systemtic Name: 3-[4-[(2-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid Openeye Name: 3-[4-[(2-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid CAS Name: 3-[4-[(2-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[4-[(2-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid Traditional Name: 3-[4-[(5-amyl-2-butyl-1,2,4-triazol-3-yl)methyl]phenyl]isonicotinic 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(C=CN=C3)C(=O)O)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2/c1-3-5-7-8-22-26-23(28(27-22)15-6-4-2)16-18-9-11-19(12-10-18)21-17-25-14-13-20(21)24(29)30/h9-14,17H,3-8,15-16H2,1-2H3,(H,29,30)