3-[6-bromanylhexanoyl-(4-carboxyphenyl)amino]benzoic acid

Systemtic Name: 3-[6-bromanylhexanoyl-(4-carboxyphenyl)amino]benzoic acid Openeye Name: 3-[N-(6-bromohexanoyl)-4-carboxy-anilino]benzoic acid CAS Name: 3-(N-(6-bromo-1-oxohexyl)-4-carboxyanilino)benzoic acid IUPAC Name: 3-[N-(6-bromohexanoyl)-4-carboxyanilino]benzoic acid Traditional Name: 3-[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(=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)CCCCCBr)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5/c21-12-3-1-2-7-18(23)22(16-10-8-14(9-11-16)19(24)25)17-6-4-5-15(13-17)20(26)27/h4-6,8-11,13H,1-3,7,12H2,(H,24,25)(H,26,27)