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

Systemtic Name: 3-[[4-[(2-bromanylphenoxy)methyl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[(2-bromophenoxy)methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]benzoic acid Traditional Name: 3-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]benzoic acid Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C21H16BrNO4/c22-18-6-1-2-7-19(18)27-13-14-8-10-15(11-9-14)20(24)23-17-5-3-4-16(12-17)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)