5-bromanyl-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid

Systemtic Name: 5-bromanyl-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid Openeye Name: 5-bromo-3-methoxy-2-(4-pyridylmethoxy)benzoic acid CAS Name: 5-bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid IUPAC Name: 5-bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid Traditional Name: 5-bromo-3-methoxy-2-(4-pyridylmethoxy)benzoic acid Formula: C14H12BrNO4 MolecularWeight: 338.15338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(=O)O)OCC2=CC=NC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C(=O)O)OCC2=CC=NC=C2

InChI

InChI=1S/C14H12BrNO4/c1-19-12-7-10(15)6-11(14(17)18)13(12)20-8-9-2-4-16-5-3-9/h2-7H,8H2,1H3,(H,17,18)