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

Systemtic Name: tert-butyl 3-[3-[(2-azanyl-2-oxidanylidene-ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate Openeye Name: tert-butyl 3-[3-[(2-amino-2-oxo-ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 3-[3-[(2-amino-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[(2-amino-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-[(2-amino-2-keto-ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid tert-butyl ester Formula: C21H35N3O5 MolecularWeight: 409.5197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O5/c1-21(2,3)28-19(26)12-16(11-7-10-15-8-5-4-6-9-15)20-23-18(24-29-20)14-27-13-17(22)25/h15-16H,4-14H2,1-3H3,(H2,22,25)