2-[6-[(5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid

Systemtic Name: 2-[6-[(5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid Openeye Name: 2-[6-[(5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid CAS Name: 2-[6-[(5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzoic acid IUPAC Name: 2-[6-[(5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid Traditional Name: 2-[6-[(5-butyl-3-tert-butyl-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:

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

Isomeric SMILES

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

InChI

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