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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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