tert-butyl 5-[4-(4-chloranylbut-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-[4-(4-chloranylbut-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-5-[4-(4-chlorobut-1-ynyl)phenyl]imidazole-1-carboxylate CAS Name: 5-[4-(4-chlorobut-1-ynyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(4-chlorobut-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-5-[4-(4-chlorobut-1-ynyl)phenyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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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=C(C=C2)C#CCCCl

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4/c1-22(2,3)30-20(28)26-19-25-15-18(27(19)21(29)31-23(4,5)6)17-12-10-16(11-13-17)9-7-8-14-24/h10-13,15H,8,14H2,1-6H3,(H,25,26,28)