3-[(4-bromanyl-2-fluoranyl-phenyl)methylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylamino]-2-methyl-benzoic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methylamino]-2-methylbenzoic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)amino]-2-methyl-benzoic acid Formula: C15H13BrFNO2 MolecularWeight: 338.171623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C15H13BrFNO2/c1-9-12(15(19)20)3-2-4-14(9)18-8-10-5-6-11(16)7-13(10)17/h2-7,18H,8H2,1H3,(H,19,20)