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

Systemtic Name: 2-[5-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC

Isomeric SMILES

CCCCC1=NN(C(=N1)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC

InChI

InChI=1S/C23H28N4O2/c1-3-5-11-21-25-22(27(26-21)14-6-4-2)15-17-12-13-20(24-16-17)18-9-7-8-10-19(18)23(28)29/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3,(H,28,29)