tert-butyl 3-[3-[[(2-azanyl-2-oxidanylidene-ethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate

Systemtic Name: tert-butyl 3-[3-[[(2-azanyl-2-oxidanylidene-ethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate Openeye Name: tert-butyl 3-[3-[[(2-amino-2-oxo-ethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 3-[3-[[(2-amino-2-oxoethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[[(2-amino-2-oxoethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-[[(2-amino-2-keto-ethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid tert-butyl ester Formula: C21H36N4O4 MolecularWeight: 408.53494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)CNCC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)CNCC(=O)N

InChI

InChI=1S/C21H36N4O4/c1-21(2,3)28-19(27)12-16(11-7-10-15-8-5-4-6-9-15)20-24-18(25-29-20)14-23-13-17(22)26/h15-16,23H,4-14H2,1-3H3,(H2,22,26)