2-[3-bromanyl-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)-1-imidazolyl]methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[4-cyclopropyl-2-ethyl-5-(ethylcarbamoyl)imidazol-1-yl]methyl]benzofuran-2-yl]benzoic acid Formula: C27H26BrN3O4 MolecularWeight: 536.41704

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)O)C(=O)NCC)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrN3O4/c1-3-21-30-23(16-10-11-16)24(26(32)29-4-2)31(21)14-15-9-12-20-19(13-15)22(28)25(35-20)17-7-5-6-8-18(17)27(33)34/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,29,32)(H,33,34)