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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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