ethyl 5-cyclopropyl-2-ethyl-3-[[3-ethynyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 5-cyclopropyl-2-ethyl-3-[[3-ethynyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 3-[[2-[2-(tert-butoxycarbonylamino)phenyl]-3-ethynyl-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 5-cyclopropyl-2-ethyl-3-[[3-ethynyl-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-benzofuranyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-2-ethyl-3-[[3-ethynyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxylate Traditional Name: 3-[[2-[2-(tert-butoxycarbonylamino)phenyl]-3-ethynyl-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C33H35N3O5 MolecularWeight: 553.6481

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3C#C)C4=CC=CC=C4NC(=O)OC(C)(C)C)C(=O)OCC)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3C#C)C4=CC=CC=C4NC(=O)OC(C)(C)C)C(=O)OCC)C5CC5

InChI

InChI=1S/C33H35N3O5/c1-7-22-24-18-20(19-36-27(8-2)35-28(21-15-16-21)29(36)31(37)39-9-3)14-17-26(24)40-30(22)23-12-10-11-13-25(23)34-32(38)41-33(4,5)6/h1,10-14,17-18,21H,8-9,15-16,19H2,2-6H3,(H,34,38)