tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(3-oxidanylprop-1-ynyl)phenyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(3-oxidanylprop-1-ynyl)phenyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-5-[3-(3-hydroxyprop-1-ynyl)phenyl]imidazole-1-carboxylate CAS Name: 5-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-5-[3-(3-hydroxyprop-1-ynyl)phenyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(N1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#CCO

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(N1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#CCO

InChI

InChI=1S/C22H27N3O5/c1-21(2,3)29-19(27)24-18-23-14-17(25(18)20(28)30-22(4,5)6)16-11-7-9-15(13-16)10-8-12-26/h7,9,11,13-14,26H,12H2,1-6H3,(H,23,24,27)