tert-butyl (3E)-4-(3-methylimidazol-4-yl)-2-oxidanylidene-3-(phenylmethylidene)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3E)-4-(3-methylimidazol-4-yl)-2-oxidanylidene-3-(phenylmethylidene)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3E)-3-benzylidene-4-(3-methylimidazol-4-yl)-2-oxo-pyrrolidine-1-carboxylate CAS Name: (3E)-4-(3-methyl-4-imidazolyl)-2-oxo-3-(phenylmethylene)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-3-benzylidene-4-(3-methylimidazol-4-yl)-2-oxopyrrolidine-1-carboxylate Traditional Name: (3E)-3-benzal-2-keto-4-(3-methylimidazol-4-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(=CC2=CC=CC=C2)C1=O)C3=CN=CN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(/C(=C\C2=CC=CC=C2)/C1=O)C3=CN=CN3C

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-12-16(17-11-21-13-22(17)4)15(18(23)24)10-14-8-6-5-7-9-14/h5-11,13,16H,12H2,1-4H3/b15-10+