tert-butyl 2-[5-[(5-aminocarbonyl-2-ethyl-7-methyl-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-7-methyl-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-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[(5-carbamoyl-2-ethyl-7-methyl-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-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[(5-carbamoyl-2-ethyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C30H29BrN4O4 MolecularWeight: 589.47966

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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=C2C)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=C2C)C(=O)N

InChI

InChI=1S/C30H29BrN4O4/c1-6-23-34-25-16(2)13-21(27(32)36)33-28(25)35(23)15-17-11-12-22-20(14-17)24(31)26(38-22)18-9-7-8-10-19(18)29(37)39-30(3,4)5/h7-14H,6,15H2,1-5H3,(H2,32,36)