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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)amino]-4-fluoro-benzoic acid Formula: C15H13BrFNO3 MolecularWeight: 354.171023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F)Br

InChI

InChI=1S/C15H13BrFNO3/c1-21-14-5-2-9(6-11(14)16)8-18-13-7-10(15(19)20)3-4-12(13)17/h2-7,18H,8H2,1H3,(H,19,20)