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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-3-nitro-2-oxidanyl-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S,3R)-2-hydroxy-3-nitro-3-phenyl-propanoate CAS Name: (2S,3R)-2-hydroxy-3-nitro-3-phenylpropanoic 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-3-phenylpropanoate Traditional Name: (2S,3R)-2-hydroxy-3-nitro-3-phenyl-propionic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H31NO5/c1-17-14-15-20(25(2,3)19-12-8-5-9-13-19)21(16-17)31-24(28)23(27)22(26(29)30)18-10-6-4-7-11-18/h4-13,17,20-23,27H,14-16H2,1-3H3/t17-,20-,21-,22-,23+/m1/s1