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

Systemtic Name: 3-[[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]methoxy]-5-ethoxy-benzoic acid Openeye Name: 3-[[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]methoxy]-5-ethoxy-benzoic acid CAS Name: 3-[[3-(bromomethyl)-5-ethoxycarbonylphenyl]methoxy]-5-ethoxybenzoic acid IUPAC Name: 3-[[3-(bromomethyl)-5-ethoxycarbonylphenyl]methoxy]-5-ethoxybenzoic acid Traditional Name: 3-[3-(bromomethyl)-5-carbethoxy-benzyl]oxy-5-ethoxy-benzoic acid Formula: C20H21BrO6 MolecularWeight: 437.28114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC2=CC(=CC(=C2)C(=O)OCC)CBr)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC2=CC(=CC(=C2)C(=O)OCC)CBr)C(=O)O

InChI

InChI=1S/C20H21BrO6/c1-3-25-17-8-15(19(22)23)9-18(10-17)27-12-14-5-13(11-21)6-16(7-14)20(24)26-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,22,23)