[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-3-(4-cyanophenyl)oxaziridine-2-carboxylate CAS Name: (3R)-3-(4-cyanophenyl)-2-oxaziridinecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-(4-cyanophenyl)oxaziridine-2-carboxylate Traditional Name: (3R)-3-(4-cyanophenyl)oxaziridine-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2C(O2)C3=CC=C(C=C3)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2[C@H](O2)C3=CC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C19H24N2O3/c1-12(2)16-9-4-13(3)10-17(16)23-19(22)21-18(24-21)15-7-5-14(11-20)6-8-15/h5-8,12-13,16-18H,4,9-10H2,1-3H3/t13-,16+,17-,18-,21?/m1/s1