3-[4-(2-acetamido-3-ethyl-benzimidazol-5-yl)oxy-3,5-bis(bromanyl)phenyl]-2-fluoranyl-propanoic acid

Systemtic Name: 3-[4-(2-acetamido-3-ethyl-benzimidazol-5-yl)oxy-3,5-bis(bromanyl)phenyl]-2-fluoranyl-propanoic acid Openeye Name: 3-[4-(2-acetamido-3-ethyl-benzimidazol-5-yl)oxy-3,5-dibromo-phenyl]-2-fluoro-propanoic acid CAS Name: 3-[4-[(2-acetamido-3-ethyl-5-benzimidazolyl)oxy]-3,5-dibromophenyl]-2-fluoropropanoic acid IUPAC Name: 3-[4-(2-acetamido-3-ethylbenzimidazol-5-yl)oxy-3,5-dibromophenyl]-2-fluoropropanoic acid Traditional Name: 3-[4-(2-acetamido-3-ethyl-benzimidazol-5-yl)oxy-3,5-dibromo-phenyl]-2-fluoro-propionic acid Formula: C20H18Br2FN3O4 MolecularWeight: 543.181023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)CC(C(=O)O)F)Br)N=C1NC(=O)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)CC(C(=O)O)F)Br)N=C1NC(=O)C

InChI

InChI=1S/C20H18Br2FN3O4/c1-3-26-17-9-12(4-5-16(17)25-20(26)24-10(2)27)30-18-13(21)6-11(7-14(18)22)8-15(23)19(28)29/h4-7,9,15H,3,8H2,1-2H3,(H,28,29)(H,24,25,27)