[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-3-nitro-2-oxidanyl-4-phenyl-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-3-nitro-2-oxidanyl-4-phenyl-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S,3R)-2-hydroxy-3-nitro-4-phenyl-butanoate CAS Name: (2S,3R)-2-hydroxy-3-nitro-4-phenylbutanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-2-hydroxy-3-nitro-4-phenylbutanoate Traditional Name: (2S,3R)-2-hydroxy-3-nitro-4-phenyl-butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(CC2=CC=CC=C2)[N+](=O)[O-])O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]([C@@H](CC2=CC=CC=C2)[N+](=O)[O-])O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H33NO5/c1-18-14-15-21(26(2,3)20-12-8-5-9-13-20)23(16-18)32-25(29)24(28)22(27(30)31)17-19-10-6-4-7-11-19/h4-13,18,21-24,28H,14-17H2,1-3H3/t18-,21-,22-,23-,24+/m1/s1