O1-tert-butyl O2-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H30N2O7 MolecularWeight: 422.4721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2CCCN2C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C21H30N2O7/c1-7-28-19(26)17-13(3)22-12(2)16(17)15(24)11-29-18(25)14-9-8-10-23(14)20(27)30-21(4,5)6/h14,22H,7-11H2,1-6H3/t14-/m0/s1