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

Systemtic Name: 3-bromanyl-5-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-(4-pyridylmethoxy)benzoic acid CAS Name: 3-bromo-5-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid Traditional Name: 3-bromo-5-ethoxy-4-(4-pyridylmethoxy)benzoic acid Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=NC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=NC=C2

InChI

InChI=1S/C15H14BrNO4/c1-2-20-13-8-11(15(18)19)7-12(16)14(13)21-9-10-3-5-17-6-4-10/h3-8H,2,9H2,1H3,(H,18,19)