3-bromanyl-4-(2-imidazol-1-ylethoxy)-5-methoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-(2-imidazol-1-ylethoxy)-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-(2-imidazol-1-ylethoxy)-5-methoxy-benzoic acid CAS Name: 3-bromo-4-[2-(1-imidazolyl)ethoxy]-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-(2-imidazol-1-ylethoxy)-5-methoxybenzoic acid Traditional Name: 3-bromo-4-(2-imidazol-1-ylethoxy)-5-methoxy-benzoic acid Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCN2C=CN=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCN2C=CN=C2

InChI

InChI=1S/C13H13BrN2O4/c1-19-11-7-9(13(17)18)6-10(14)12(11)20-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3,(H,17,18)