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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)CC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

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