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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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