4-[6-bromanylhexanoyl-(4-carboxyphenyl)amino]benzoic acid

Systemtic Name: 4-[6-bromanylhexanoyl-(4-carboxyphenyl)amino]benzoic acid Openeye Name: 4-[N-(6-bromohexanoyl)-4-carboxy-anilino]benzoic acid CAS Name: 4-(N-(6-bromo-1-oxohexyl)-4-carboxyanilino)benzoic acid IUPAC Name: 4-[N-(6-bromohexanoyl)-4-carboxyanilino]benzoic acid Traditional Name: 4-[N-(6-bromohexanoyl)-4-carboxy-anilino]benzoic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(C2=CC=C(C=C2)C(=O)O)C(=O)CCCCCBr

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(C2=CC=C(C=C2)C(=O)O)C(=O)CCCCCBr

InChI

InChI=1S/C20H20BrNO5/c21-13-3-1-2-4-18(23)22(16-9-5-14(6-10-16)19(24)25)17-11-7-15(8-12-17)20(26)27/h5-12H,1-4,13H2,(H,24,25)(H,26,27)