4-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(5-bromo-2-fluoro-phenyl)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(5-bromo-2-fluorophenyl)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(5-bromo-2-fluorophenyl)methylamino]-3-methylbenzoic acid Traditional Name: 4-[(5-bromo-2-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=C(C=CC(=C2)Br)F

Isomeric SMILES

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

InChI

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