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

Systemtic Name: 4-[4-[(5-butyl-3-methyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 4-[4-[(5-butyl-3-methyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-3-carboxylic acid CAS Name: 4-[4-[(5-butyl-3-methyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[4-[(5-butyl-3-methyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 4-[4-[(5-butyl-3-methyl-1,2,4-triazol-1-yl)methyl]phenyl]nicotinic acid Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=NC=C3)C(=O)O)C

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=NC=C3)C(=O)O)C

InChI

InChI=1S/C20H22N4O2/c1-3-4-5-19-22-14(2)23-24(19)13-15-6-8-16(9-7-15)17-10-11-21-12-18(17)20(25)26/h6-12H,3-5,13H2,1-2H3,(H,25,26)