O1-tert-butyl O3-(phenylmethyl) 2-[(2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-3-ium-3-yl)methylamino]propanedioate

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) 2-[(2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-3-ium-3-yl)methylamino]propanedioate Openeye Name: O1-benzyl O3-tert-butyl 2-[(3-benzyloxycarbonyl-2,2-dimethyl-oxazolidin-3-ium-3-yl)methylamino]propanedioate CAS Name: 2-[(2,2-dimethyl-3-phenylmethoxycarbonyl-3-oxazolidin-3-iumyl)methylamino]propanedioic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl 2-[(2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-3-ium-3-yl)methylamino]propanedioate Traditional Name: 2-[(3-carbobenzoxy-2,2-dimethyl-oxazolidin-3-ium-3-yl)methylamino]malonic acid O1-benzyl ester O3-tert-butyl ester Formula: C28H37N2O7+ MolecularWeight: 513.60258

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Descriptors Computed from Structure

Canonical SMILES:

CC1([N+](CCO1)(CNC(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1([N+](CCO1)(CNC(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C28H37N2O7/c1-27(2,3)37-25(32)23(24(31)34-18-21-12-8-6-9-13-21)29-20-30(16-17-36-28(30,4)5)26(33)35-19-22-14-10-7-11-15-22/h6-15,23,29H,16-20H2,1-5H3/q+1