5-[[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C17H15BrFNO5 MolecularWeight: 412.207103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C17H15BrFNO5/c1-24-14-4-2-10(6-12(14)17(22)23)8-20-16(21)9-25-15-5-3-11(18)7-13(15)19/h2-7H,8-9H2,1H3,(H,20,21)(H,22,23)