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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N4O4/c25-17(22-15-8-4-2-1-3-5-9-15)14-27-19(26)12-11-18-23-20(24-28-18)16-10-6-7-13-21-16/h6-7,10,13,15H,1-5,8-9,11-12,14H2,(H,22,25)