4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]benzoic acid

Systemtic Name: 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]benzoic acid Openeye Name: 4-[2-(2-benzyloxy-5-bromo-phenyl)ethylamino]benzoic acid CAS Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]benzoic acid IUPAC Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]benzoic acid Traditional Name: 4-[2-(2-benzoxy-5-bromo-phenyl)ethylamino]benzoic acid Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20BrNO3/c23-19-8-11-21(27-15-16-4-2-1-3-5-16)18(14-19)12-13-24-20-9-6-17(7-10-20)22(25)26/h1-11,14,24H,12-13,15H2,(H,25,26)