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

Systemtic Name: 4-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]benzoic acid Openeye Name: 4-[(3,5-dibromo-4-methoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3,5-dibromo-4-methoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3,5-dibromo-4-methoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3,5-dibromo-4-methoxy-benzyl)amino]benzoic acid Formula: C15H13Br2NO3 MolecularWeight: 415.07662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C15H13Br2NO3/c1-21-14-12(16)6-9(7-13(14)17)8-18-11-4-2-10(3-5-11)15(19)20/h2-7,18H,8H2,1H3,(H,19,20)