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

Systemtic Name: 5-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(5-bromo-2-methoxy-phenyl)methylamino]-2-fluoro-benzoic acid CAS Name: 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzoic acid IUPAC Name: 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzoic acid Traditional Name: 5-[(5-bromo-2-methoxy-benzyl)amino]-2-fluoro-benzoic acid Formula: C15H13BrFNO3 MolecularWeight: 354.171023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H13BrFNO3/c1-21-14-5-2-10(16)6-9(14)8-18-11-3-4-13(17)12(7-11)15(19)20/h2-7,18H,8H2,1H3,(H,19,20)