2-[5-[(3-methyl-5-pentyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid

Systemtic Name: 2-[5-[(3-methyl-5-pentyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid Openeye Name: 2-[5-[(3-methyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid CAS Name: 2-[5-[(3-methyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(3-methyl-5-pentyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid Traditional Name: 2-[5-[(5-amyl-3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NN1CC2=CN=CC(=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCCC1=NC(=NN1CC2=CN=CC(=C2)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C21H24N4O2/c1-3-4-5-10-20-23-15(2)24-25(20)14-16-11-17(13-22-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,26,27)