ditert-butyl 4-methyl-2-oxidanylidene-1-phenylmethoxy-pyrrolidin-1-ium-1,3-dicarboxylate

Systemtic Name: ditert-butyl 4-methyl-2-oxidanylidene-1-phenylmethoxy-pyrrolidin-1-ium-1,3-dicarboxylate Openeye Name: ditert-butyl 1-benzyloxy-4-methyl-2-oxo-pyrrolidin-1-ium-1,3-dicarboxylate CAS Name: 4-methyl-2-oxo-1-phenylmethoxypyrrolidin-1-ium-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-methyl-2-oxo-1-phenylmethoxypyrrolidin-1-ium-1,3-dicarboxylate Traditional Name: 1-benzoxy-2-keto-4-methyl-pyrrolidin-1-ium-1,3-dicarboxylic acid ditert-butyl ester Formula: C22H32NO6+ MolecularWeight: 406.49258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](C(=O)C1C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1C[N+](C(=O)C1C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32NO6/c1-15-13-23(20(26)29-22(5,6)7,27-14-16-11-9-8-10-12-16)18(24)17(15)19(25)28-21(2,3)4/h8-12,15,17H,13-14H2,1-7H3/q+1