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

Systemtic Name: methyl 2-[4-[3-(4-hexyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoate Openeye Name: methyl 2-[4-[3-(4-hexyl-5-oxo-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[3-(4-hexyl-5-oxo-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-hexyl-5-oxo-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[3-(4-hexyl-5-keto-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propionic acid methyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC

Isomeric SMILES

CCCCCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC

InChI

InChI=1S/C22H33N3O4/c1-5-6-7-8-16-25-19(23-24-21(25)27)11-9-10-17-12-14-18(15-13-17)29-22(2,3)20(26)28-4/h12-15H,5-11,16H2,1-4H3,(H,24,27)