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

Systemtic Name: 2-[4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid CAS Name: 2-[4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[(2,5-diamyl-1,2,4-triazol-3-yl)methyl]phenyl]nicotinic acid Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O)CCCCC

Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O)CCCCC

InChI

InChI=1S/C25H32N4O2/c1-3-5-7-11-22-27-23(29(28-22)17-8-6-4-2)18-19-12-14-20(15-13-19)24-21(25(30)31)10-9-16-26-24/h9-10,12-16H,3-8,11,17-18H2,1-2H3,(H,30,31)