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

Systemtic Name: tert-butyl 6-cyclohexyl-3-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: tert-butyl 6-cyclohexyl-3-[3-(isoindoline-2-carbonyl)-1,2,4-oxadiazol-5-yl]hexanoate CAS Name: 6-cyclohexyl-3-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyclohexyl-3-[3-(1,3-dihydroisoindole-2-carbonyl)-1,2,4-oxadiazol-5-yl]hexanoate Traditional Name: 6-cyclohexyl-3-[3-(isoindoline-2-carbonyl)-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C27H37N3O4/c1-27(2,3)33-23(31)16-20(15-9-12-19-10-5-4-6-11-19)25-28-24(29-34-25)26(32)30-17-21-13-7-8-14-22(21)18-30/h7-8,13-14,19-20H,4-6,9-12,15-18H2,1-3H3