2-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 2-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(hydroxymethyl)-5-isopropyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-(3-isopropyl-5-methylol-1,2,4-triazol-4-yl)benzoic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2C(=O)O)CO

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2C(=O)O)CO

InChI

InChI=1S/C13H15N3O3/c1-8(2)12-15-14-11(7-17)16(12)10-6-4-3-5-9(10)13(18)19/h3-6,8,17H,7H2,1-2H3,(H,18,19)