4-[[(5-bromanyl-2-oxidanyl-phenyl)-(2,5-dimethoxyphenyl)methyl]amino]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-2-oxidanyl-phenyl)-(2,5-dimethoxyphenyl)methyl]amino]benzoic acid Openeye Name: 4-[[(5-bromo-2-hydroxy-phenyl)-(2,5-dimethoxyphenyl)methyl]amino]benzoic acid CAS Name: 4-[[(5-bromo-2-hydroxyphenyl)-(2,5-dimethoxyphenyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(5-bromo-2-hydroxyphenyl)-(2,5-dimethoxyphenyl)methyl]amino]benzoic acid Traditional Name: 4-[[(5-bromo-2-hydroxy-phenyl)-(2,5-dimethoxyphenyl)methyl]amino]benzoic acid Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=C(C=CC(=C2)Br)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=C(C=CC(=C2)Br)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20BrNO5/c1-28-16-8-10-20(29-2)18(12-16)21(17-11-14(23)5-9-19(17)25)24-15-6-3-13(4-7-15)22(26)27/h3-12,21,24-25H,1-2H3,(H,26,27)