tert-butyl 6-cyclohexyl-3-[3-(2-oxidanylidenepropylcarbamoyl)-1,2,4-oxadiazol-5-yl]hexanoate

Systemtic Name: tert-butyl 6-cyclohexyl-3-[3-(2-oxidanylidenepropylcarbamoyl)-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: tert-butyl 3-[3-(acetonylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 6-cyclohexyl-3-[3-[oxo-(2-oxopropylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyclohexyl-3-[3-(2-oxopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]hexanoate Traditional Name: 3-[3-(acetonylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid tert-butyl ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC(=O)C1=NOC(=N1)C(CCCC2CCCCC2)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CNC(=O)C1=NOC(=N1)C(CCCC2CCCCC2)CC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N3O5/c1-15(26)14-23-20(28)19-24-21(30-25-19)17(13-18(27)29-22(2,3)4)12-8-11-16-9-6-5-7-10-16/h16-17H,5-14H2,1-4H3,(H,23,28)