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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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