3-[[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]methoxy]-5-(2-methoxyethoxy)benzoic acid

Systemtic Name: 3-[[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]methoxy]-5-(2-methoxyethoxy)benzoic acid Openeye Name: 3-[[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]methoxy]-5-(2-methoxyethoxy)benzoic acid CAS Name: 3-[[3-(bromomethyl)-5-ethoxycarbonylphenyl]methoxy]-5-(2-methoxyethoxy)benzoic acid IUPAC Name: 3-[[3-(bromomethyl)-5-ethoxycarbonylphenyl]methoxy]-5-(2-methoxyethoxy)benzoic acid Traditional Name: 3-[3-(bromomethyl)-5-carbethoxy-benzyl]oxy-5-(2-methoxyethoxy)benzoic acid Formula: C21H23BrO7 MolecularWeight: 467.30712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)CBr)COC2=CC(=CC(=C2)C(=O)O)OCCOC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)CBr)COC2=CC(=CC(=C2)C(=O)O)OCCOC

InChI

InChI=1S/C21H23BrO7/c1-3-27-21(25)17-7-14(12-22)6-15(8-17)13-29-19-10-16(20(23)24)9-18(11-19)28-5-4-26-2/h6-11H,3-5,12-13H2,1-2H3,(H,23,24)