3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]benzoic acid CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]benzoic acid Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)Br)O

InChI

InChI=1S/C15H14BrNO4/c1-21-13-6-9(5-12(16)14(13)18)8-17-11-4-2-3-10(7-11)15(19)20/h2-7,17-18H,8H2,1H3,(H,19,20)