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

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

CC(C(=O)NCCCCCC(=O)OC)N1C=NC=N1

Isomeric SMILES

CC(C(=O)NCCCCCC(=O)OC)N1C=NC=N1

InChI

InChI=1S/C12H20N4O3/c1-10(16-9-13-8-15-16)12(18)14-7-5-3-4-6-11(17)19-2/h8-10H,3-7H2,1-2H3,(H,14,18)