ethyl 3-[[2-(2-aminophenyl)-3-bromanyl-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[[2-(2-aminophenyl)-3-bromanyl-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[2-(2-aminophenyl)-3-bromo-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 3-[[2-(2-aminophenyl)-3-bromo-4-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-aminophenyl)-3-bromo-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylate Traditional Name: 3-[[2-(2-aminophenyl)-3-bromo-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C26H26BrN3O3 MolecularWeight: 513.371722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4N)C(=O)OCC)C5CC5

Isomeric SMILES

CCOC(=O)C1=C([15N]=[13C]([15N]1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4N)[13CH2][13CH3])C5CC5

InChI

InChI=1S/C26H26BrN3O3/c1-3-20-29-23(15-12-13-15)24(26(31)32-4-2)30(20)14-16-8-7-11-19-21(16)22(27)25(33-19)17-9-5-6-10-18(17)28/h5-11,15H,3-4,12-14,28H2,1-2H3/i1+1,3+1,20+1,29+1,30+1