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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC

Isomeric SMILES

CCCCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC

InChI

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