tert-butyl 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-[oxidanyl(phenyl)methyl]imidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-[oxidanyl(phenyl)methyl]imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-[hydroxy(phenyl)methyl]imidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-[hydroxy(phenyl)methyl]-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-[hydroxy(phenyl)methyl]imidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-but-2-ynyl-5-carbethoxy-4-[hydroxy(phenyl)methyl]imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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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(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)O

InChI

InChI=1S/C26H34N4O5/c1-6-8-14-30-21(23(32)34-7-2)20(22(31)19-12-10-9-11-13-19)27-24(30)28-15-17-29(18-16-28)25(33)35-26(3,4)5/h9-13,22,31H,7,14-18H2,1-5H3