[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C21H27N3O5/c1-13(28-20(25)15-5-9-16(10-6-15)21(2,3)4)18-22-23-19(29-18)14-7-11-17(12-8-14)24(26)27/h7-8,11-13,15-16H,5-6,9-10H2,1-4H3/t13-,15?,16?/m1/s1