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

Systemtic Name: tert-butyl 6-cyclohexyl-3-[3-[(phenylmethyl)carbamoyl]-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: tert-butyl 3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 6-cyclohexyl-3-[3-[oxo-[(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid tert-butyl ester Formula: C26H37N3O4 MolecularWeight: 455.58968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H37N3O4/c1-26(2,3)32-22(30)17-21(16-10-15-19-11-6-4-7-12-19)25-28-23(29-33-25)24(31)27-18-20-13-8-5-9-14-20/h5,8-9,13-14,19,21H,4,6-7,10-12,15-18H2,1-3H3,(H,27,31)