tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-methanoyl-imidazol-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-methanoyl-imidazol-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-formyl-imidazol-2-yl)piperazine-1-carboxylate CAS Name: 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-formyl-2-imidazolyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-formylimidazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-(1-but-2-ynyl-5-carbethoxy-4-formyl-imidazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C=O

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C=O

InChI

InChI=1S/C20H28N4O5/c1-6-8-9-24-16(17(26)28-7-2)15(14-25)21-18(24)22-10-12-23(13-11-22)19(27)29-20(3,4)5/h14H,7,9-13H2,1-5H3