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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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