O4-tert-butyl O1-(phenylmethyl) 2-[(2-oxidanylidene-3H-benzimidazol-1-yl)carbonyl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[(2-oxidanylidene-3H-benzimidazol-1-yl)carbonyl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-(2-oxo-3H-benzimidazole-1-carbonyl)piperazine-1,4-dicarboxylate CAS Name: 2-[oxo-(2-oxo-3H-benzimidazol-1-yl)methyl]piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-(2-oxo-3H-benzimidazole-1-carbonyl)piperazine-1,4-dicarboxylate Traditional Name: 2-(2-keto-3H-benzimidazole-1-carbonyl)piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N2C3=CC=CC=C3NC2=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N2C3=CC=CC=C3NC2=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O6/c1-25(2,3)35-23(32)27-13-14-28(24(33)34-16-17-9-5-4-6-10-17)20(15-27)21(30)29-19-12-8-7-11-18(19)26-22(29)31/h4-12,20H,13-16H2,1-3H3,(H,26,31)