[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(5-methoxy-2-nitro-phenyl)ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(5-methoxy-2-nitro-phenyl)ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(5-methoxy-2-nitro-phenyl)acetate CAS Name: 2-(5-methoxy-2-nitrophenyl)acetic 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] 2-(5-methoxy-2-nitrophenyl)acetate Traditional Name: 2-(5-methoxy-2-nitro-phenyl)acetic 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)CC2=C(C=CC(=C2)OC)[N+](=O)[O-])C(C)(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5/c1-17-10-12-21(25(2,3)19-8-6-5-7-9-19)23(14-17)31-24(27)16-18-15-20(30-4)11-13-22(18)26(28)29/h5-9,11,13,15,17,21,23H,10,12,14,16H2,1-4H3/t17-,21-,23-/m1/s1