(4-nitrophenyl)methyl 2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(quinuclidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 2-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 2-(quinuclidin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CN4CCC3CC4

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CN4CCC3CC4

InChI

InChI=1S/C20H26N4O5/c25-19(21-17-12-22-10-7-15(17)8-11-22)18-2-1-9-23(18)20(26)29-13-14-3-5-16(6-4-14)24(27)28/h3-6,15,17-18H,1-2,7-13H2,(H,21,25)