3-[6-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[(5-bromo-2-hydroxy-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[(5-bromo-2-hydroxybenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[(5-bromo-2-hydroxy-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C23H18BrN3O4 MolecularWeight: 480.31072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C23H18BrN3O4/c24-15-6-9-21(28)17(10-15)23(31)26-16-7-8-18-20(11-16)27(13-25-18)19(12-22(29)30)14-4-2-1-3-5-14/h1-11,13,19,28H,12H2,(H,26,31)(H,29,30)