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

Systemtic Name: 2-[4-[(5-tert-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-tert-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-tert-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-tert-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-tert-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-26(2,3)25-27-23(20-9-5-4-6-10-20)28-29(25)17-18-13-15-19(16-14-18)21-11-7-8-12-22(21)24(30)31/h4-16H,17H2,1-3H3,(H,30,31)