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

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(2-phenylethynyl)phenyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-5-[3-(2-phenylethynyl)phenyl]imidazole-1-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[3-(2-phenylethynyl)phenyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(2-phenylethynyl)phenyl]imidazole-1-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-5-[3-(2-phenylethynyl)phenyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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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#CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(N1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4/c1-26(2,3)33-24(31)29-23-28-18-22(30(23)25(32)34-27(4,5)6)21-14-10-13-20(17-21)16-15-19-11-8-7-9-12-19/h7-14,17-18H,1-6H3,(H,28,29,31)