2-[[3-[2-(4-bromanylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[2-(4-bromanylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[[2-(4-bromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[[2-(4-bromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[[2-(4-bromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H17BrN2O5/c23-15-8-10-17(11-9-15)30-13-20(26)24-16-5-3-4-14(12-16)21(27)25-19-7-2-1-6-18(19)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)