methyl 2-[4-[3-(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoate

Systemtic Name: methyl 2-[4-[3-(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoate Openeye Name: methyl 2-[4-[3-(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[3-(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[3-(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propionic acid methyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC

Isomeric SMILES

CCCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC

InChI

InChI=1S/C20H29N3O4/c1-5-6-14-23-17(21-22-19(23)25)9-7-8-15-10-12-16(13-11-15)27-20(2,3)18(24)26-4/h10-13H,5-9,14H2,1-4H3,(H,22,25)