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

Systemtic Name: 2-[5-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)CCC

InChI

InChI=1S/C22H26N4O2/c1-3-5-11-21-24-20(8-4-2)25-26(21)15-16-12-13-19(23-14-16)17-9-6-7-10-18(17)22(27)28/h6-7,9-10,12-14H,3-5,8,11,15H2,1-2H3,(H,27,28)