[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CCC1=NC(=NO1)C2=CC=CC=N2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CCC1=NC(=NO1)C2=CC=CC=N2

InChI

InChI=1S/C17H22N4O4/c1-12(2)8-10-19-14(22)11-24-16(23)7-6-15-20-17(21-25-15)13-5-3-4-9-18-13/h3-5,9,12H,6-8,10-11H2,1-2H3,(H,19,22)