O1'-tert-butyl O1-(phenylmethyl) 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate

Systemtic Name: O1'-tert-butyl O1-(phenylmethyl) 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: O1-benzyl O1'-tert-butyl 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylic acid O1'-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 1-O'-tert-butyl 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylic acid O1-benzyl ester O1'-tert-butyl ester Formula: C24H30NO5+ MolecularWeight: 412.4987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C2=CC=CC=C2OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1C2=CC=CC=C2OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30NO5/c1-24(2,3)30-23(27)25(22(26)29-17-18-11-6-5-7-12-18)16-10-14-20(25)19-13-8-9-15-21(19)28-4/h5-9,11-13,15,20H,10,14,16-17H2,1-4H3/q+1