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

Systemtic Name: 3-[1-(3-bromanyl-4-fluoranyl-phenyl)ethylamino]-4-methyl-benzoic acid Openeye Name: 3-[1-(3-bromo-4-fluoro-phenyl)ethylamino]-4-methyl-benzoic acid CAS Name: 3-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methylbenzoic acid IUPAC Name: 3-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methylbenzoic acid Traditional Name: 3-[1-(3-bromo-4-fluoro-phenyl)ethylamino]-4-methyl-benzoic acid Formula: C16H15BrFNO2 MolecularWeight: 352.198203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C16H15BrFNO2/c1-9-3-4-12(16(20)21)8-15(9)19-10(2)11-5-6-14(18)13(17)7-11/h3-8,10,19H,1-2H3,(H,20,21)