tert-butyl 2-[5-[(5-aminocarbonyl-2-ethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-3-bromanyl-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[5-[(5-aminocarbonyl-2-ethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-3-bromanyl-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[3-bromo-5-[(5-carbamoyl-2-ethyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[(5-carbamoyl-2-ethyl-3-imidazo[4,5-b]pyridinyl)methyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[(5-carbamoyl-2-ethylimidazo[4,5-b]pyridin-3-yl)methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[(5-carbamoyl-2-ethyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C29H27BrN4O4 MolecularWeight: 575.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)OC(C)(C)C)N=C(C=C2)C(=O)N

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)OC(C)(C)C)N=C(C=C2)C(=O)N

InChI

InChI=1S/C29H27BrN4O4/c1-5-23-32-21-12-11-20(26(31)35)33-27(21)34(23)15-16-10-13-22-19(14-16)24(30)25(37-22)17-8-6-7-9-18(17)28(36)38-29(2,3)4/h6-14H,5,15H2,1-4H3,(H2,31,35)