methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate

Systemtic Name: methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate Openeye Name: methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate CAS Name: 6-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate Traditional Name: 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoic acid methyl ester Formula: C12H20N4O3 MolecularWeight: 268.3122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCN1C=NC=N1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCN1C=NC=N1

InChI

InChI=1S/C12H20N4O3/c1-19-12(18)5-3-2-4-7-14-11(17)6-8-16-10-13-9-15-16/h9-10H,2-8H2,1H3,(H,14,17)