tert-butyl 2-[3-bromanyl-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[3-bromanyl-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)-1-imidazolyl]methyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C31H34BrN3O4 MolecularWeight: 592.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)C(=O)NCC)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)C(=O)NCC)C5CC5

InChI

InChI=1S/C31H34BrN3O4/c1-6-24-34-26(19-13-14-19)27(29(36)33-7-2)35(24)17-18-12-15-23-22(16-18)25(32)28(38-23)20-10-8-9-11-21(20)30(37)39-31(3,4)5/h8-12,15-16,19H,6-7,13-14,17H2,1-5H3,(H,33,36)