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

Systemtic Name: 2-[4-[(5-tert-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-tert-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-tert-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-tert-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-tert-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-21(2,3)19-22-20(27-4)23-24(19)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(25)26/h5-12H,13H2,1-4H3,(H,25,26)