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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=C(C=C2)F)Br

InChI

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