O1-tert-butyl O2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-keto-2-(veratrylamino)ethyl] ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H30N2O7/c1-21(2,3)30-20(26)23-10-6-7-15(23)19(25)29-13-18(24)22-12-14-8-9-16(27-4)17(11-14)28-5/h8-9,11,15H,6-7,10,12-13H2,1-5H3,(H,22,24)/t15-/m0/s1