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

Systemtic Name: 3-[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]-5-ethoxy-2-methoxy-benzoic acid Openeye Name: 3-[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]-5-ethoxy-2-methoxy-benzoic acid CAS Name: 3-[3-(bromomethyl)-5-ethoxycarbonylphenyl]-5-ethoxy-2-methoxybenzoic acid IUPAC Name: 3-[3-(bromomethyl)-5-ethoxycarbonylphenyl]-5-ethoxy-2-methoxybenzoic acid Traditional Name: 3-[3-(bromomethyl)-5-carbethoxy-phenyl]-5-ethoxy-2-methoxy-benzoic acid Formula: C20H21BrO6 MolecularWeight: 437.28114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrO6/c1-4-26-15-9-16(18(25-3)17(10-15)19(22)23)13-6-12(11-21)7-14(8-13)20(24)27-5-2/h6-10H,4-5,11H2,1-3H3,(H,22,23)