tert-butyl (2E)-2-[2,4-bis(oxidanylidene)pyrrolidin-3-ylidene]-4-methyl-6-morpholin-4-yl-3H-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl (2E)-2-[2,4-bis(oxidanylidene)pyrrolidin-3-ylidene]-4-methyl-6-morpholin-4-yl-3H-benzimidazole-1-carboxylate Openeye Name: tert-butyl (2E)-2-(2,4-dioxopyrrolidin-3-ylidene)-4-methyl-6-morpholino-3H-benzimidazole-1-carboxylate CAS Name: (2E)-2-(2,4-dioxo-3-pyrrolidinylidene)-4-methyl-6-(4-morpholinyl)-3H-benzimidazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-(2,4-dioxopyrrolidin-3-ylidene)-4-methyl-6-morpholin-4-yl-3H-benzimidazole-1-carboxylate Traditional Name: (2E)-2-(2,4-diketopyrrolidin-3-ylidene)-4-methyl-6-morpholino-3H-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=O)CNC3=O)N2C(=O)OC(C)(C)C)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=O)CNC3=O)/N2C(=O)OC(C)(C)C)N4CCOCC4

InChI

InChI=1S/C21H26N4O5/c1-12-9-13(24-5-7-29-8-6-24)10-14-17(12)23-18(16-15(26)11-22-19(16)27)25(14)20(28)30-21(2,3)4/h9-10,23H,5-8,11H2,1-4H3,(H,22,27)/b18-16+