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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]-2-fluoro-benzoic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-fluorobenzoic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-fluorobenzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]-2-fluoro-benzoic acid Formula: C21H17BrFNO3 MolecularWeight: 430.266983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNC3=CC(=C(C=C3)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNC3=CC(=C(C=C3)C(=O)O)F

InChI

InChI=1S/C21H17BrFNO3/c22-16-6-9-20(27-13-14-4-2-1-3-5-14)15(10-16)12-24-17-7-8-18(21(25)26)19(23)11-17/h1-11,24H,12-13H2,(H,25,26)