3-[4-(phenylmethyl)-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[4-(phenylmethyl)-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-(4-benzyltriazol-4-yl)propanoic acid CAS Name: 3-[4-(phenylmethyl)-4-triazolyl]propanoic acid IUPAC Name: 3-(4-benzyltriazol-4-yl)propanoic acid Traditional Name: 3-(4-benzyltriazol-4-yl)propionic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C=NN=N2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2(C=NN=N2)CCC(=O)O

InChI

InChI=1S/C12H13N3O2/c16-11(17)6-7-12(9-13-15-14-12)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17)