2-[4-[(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)methoxy]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)methoxy]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)methoxy]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)methoxy]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)methoxy]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)methoxy]phenoxy]-2-methyl-propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)C2=CC=CC=C2)COC3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCN1C(=NC(=N1)C2=CC=CC=C2)COC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C21H23N3O4/c1-4-24-18(22-19(23-24)15-8-6-5-7-9-15)14-27-16-10-12-17(13-11-16)28-21(2,3)20(25)26/h5-13H,4,14H2,1-3H3,(H,25,26)