tert-butyl 6-cyclohexyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate

Systemtic Name: tert-butyl 6-cyclohexyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: tert-butyl 6-cyclohexyl-3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,4-oxadiazol-5-yl]hexanoate CAS Name: 6-cyclohexyl-3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyclohexyl-3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,4-oxadiazol-5-yl]hexanoate Traditional Name: 6-cyclohexyl-3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H39N3O4/c1-28(2,3)34-24(32)18-22(15-9-12-20-10-5-4-6-11-20)26-29-25(30-35-26)27(33)31-17-16-21-13-7-8-14-23(21)19-31/h7-8,13-14,20,22H,4-6,9-12,15-19H2,1-3H3