2-[4-[3-(1-butyl-4-ethyl-5-oxidanylidene-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-(1-butyl-4-ethyl-5-oxidanylidene-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(1-butyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-(1-butyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(1-butyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-(1-butyl-4-ethyl-5-keto-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propionic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N(C(=N1)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)O)CC

Isomeric SMILES

CCCCN1C(=O)N(C(=N1)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)O)CC

InChI

InChI=1S/C21H31N3O4/c1-5-7-15-24-20(27)23(6-2)18(22-24)10-8-9-16-11-13-17(14-12-16)28-21(3,4)19(25)26/h11-14H,5-10,15H2,1-4H3,(H,25,26)