O1-tert-butyl O2-ethyl 5-oxidanylidene-2-phenethyl-pyrrole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 5-oxidanylidene-2-phenethyl-pyrrole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 5-oxo-2-phenethyl-pyrrole-1,2-dicarboxylate CAS Name: 5-oxo-2-phenethylpyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 5-oxo-2-phenethylpyrrole-1,2-dicarboxylate Traditional Name: 5-keto-2-phenethyl-3-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=CC(=O)N1C(=O)OC(C)(C)C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(C=CC(=O)N1C(=O)OC(C)(C)C)CCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO5/c1-5-25-17(23)20(13-11-15-9-7-6-8-10-15)14-12-16(22)21(20)18(24)26-19(2,3)4/h6-10,12,14H,5,11,13H2,1-4H3