4-[1-(3-bromanyl-4-fluoranyl-phenyl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(3-bromanyl-4-fluoranyl-phenyl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-bromo-4-fluoro-phenyl)ethylamino]benzoic acid CAS Name: 4-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-bromo-4-fluoro-phenyl)ethylamino]benzoic acid Formula: C15H13BrFNO2 MolecularWeight: 338.171623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Br)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)F)Br)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13BrFNO2/c1-9(11-4-7-14(17)13(16)8-11)18-12-5-2-10(3-6-12)15(19)20/h2-9,18H,1H3,(H,19,20)