4-[1-[(5-bromanyl-2-phenylmethoxy-phenyl)amino]ethyl]benzoic acid

Systemtic Name: 4-[1-[(5-bromanyl-2-phenylmethoxy-phenyl)amino]ethyl]benzoic acid Openeye Name: 4-[1-(2-benzyloxy-5-bromo-anilino)ethyl]benzoic acid CAS Name: 4-[1-(5-bromo-2-phenylmethoxyanilino)ethyl]benzoic acid IUPAC Name: 4-[1-(5-bromo-2-phenylmethoxyanilino)ethyl]benzoic acid Traditional Name: 4-[1-(2-benzoxy-5-bromo-anilino)ethyl]benzoic acid Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)NC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)NC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20BrNO3/c1-15(17-7-9-18(10-8-17)22(25)26)24-20-13-19(23)11-12-21(20)27-14-16-5-3-2-4-6-16/h2-13,15,24H,14H2,1H3,(H,25,26)