[(1S,2R)-2-phenylcyclohexyl] (3S)-3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylate

Systemtic Name: [(1S,2R)-2-phenylcyclohexyl] (3S)-3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylate Openeye Name: [(1S,2R)-2-phenylcyclohexyl] (3S)-3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylate CAS Name: (3S)-3-(5-methoxy-2-nitrophenyl)-1-methyl-3-pyrrolidinecarboxylic acid [(1S,2R)-2-phenylcyclohexyl] ester IUPAC Name: [(1S,2R)-2-phenylcyclohexyl] (3S)-3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-3-carboxylate Traditional Name: (3S)-3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylic acid [(1S,2R)-2-phenylcyclohexyl] ester Formula: C25H30N2O5 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)(C2=C(C=CC(=C2)OC)[N+](=O)[O-])C(=O)OC3CCCCC3C4=CC=CC=C4

Isomeric SMILES

CN1CC[C@@](C1)(C2=C(C=CC(=C2)OC)[N+](=O)[O-])C(=O)O[C@H]3CCCC[C@@H]3C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O5/c1-26-15-14-25(17-26,21-16-19(31-2)12-13-22(21)27(29)30)24(28)32-23-11-7-6-10-20(23)18-8-4-3-5-9-18/h3-5,8-9,12-13,16,20,23H,6-7,10-11,14-15,17H2,1-2H3/t20-,23+,25-/m1/s1