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

Systemtic Name: 3-[6-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[(2-bromo-5-methoxy-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[(2-bromo-5-methoxybenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[(2-bromo-5-methoxy-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C24H20BrN3O4 MolecularWeight: 494.3373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC3=C(C=C2)N=CN3C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC3=C(C=C2)N=CN3C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O4/c1-32-17-8-9-19(25)18(12-17)24(31)27-16-7-10-20-22(11-16)28(14-26-20)21(13-23(29)30)15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,27,31)(H,29,30)