tert-butyl 1-(methylcarbamoyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-butyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: tert-butyl 1-(methylcarbamoyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-butyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: tert-butyl 1-(2-tert-butoxycarbonyl-4-phenyl-butyl)-1-(methylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(methylcarbamoyl)-1-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylbutyl]-2-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(methylcarbamoyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylbutyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-tert-butoxycarbonyl-4-phenyl-butyl)-1-(methylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid tert-butyl ester Formula: C26H41N2O5+ MolecularWeight: 461.61414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC[N+]1(CC(CCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC[N+]1(CC(CCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)NC

InChI

InChI=1S/C26H40N2O5/c1-25(2,3)32-22(29)20(16-15-19-12-9-8-10-13-19)18-28(24(31)27-7)17-11-14-21(28)23(30)33-26(4,5)6/h8-10,12-13,20-21H,11,14-18H2,1-7H3/p+1