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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylate CAS Name: 3-(5-methoxy-2-nitrophenyl)-1-methyl-3-pyrrolidinecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(5-methoxy-2-nitrophenyl)-1-methylpyrrolidine-3-carboxylate Traditional Name: 3-(5-methoxy-2-nitro-phenyl)-1-methyl-pyrrolidine-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-15(2)18-8-6-16(3)12-21(18)30-22(26)23(10-11-24(4)14-23)19-13-17(29-5)7-9-20(19)25(27)28/h7,9,13,15-16,18,21H,6,8,10-12,14H2,1-5H3/t16-,18+,21-,23?/m1/s1