4-[(4-carboxy-3-ethoxycarbonyl-phenyl)methyl]-2-ethoxycarbonyl-benzoic acid

Systemtic Name: 4-[(4-carboxy-3-ethoxycarbonyl-phenyl)methyl]-2-ethoxycarbonyl-benzoic acid Openeye Name: 4-[(4-carboxy-3-ethoxycarbonyl-phenyl)methyl]-2-ethoxycarbonyl-benzoic acid CAS Name: 4-[(4-carboxy-3-ethoxycarbonylphenyl)methyl]-2-ethoxycarbonylbenzoic acid IUPAC Name: 4-[(4-carboxy-3-ethoxycarbonylphenyl)methyl]-2-ethoxycarbonylbenzoic acid Traditional Name: 2-carbethoxy-4-(3-carbethoxy-4-carboxy-benzyl)benzoic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)OCC)C(=O)O

InChI

InChI=1S/C21H20O8/c1-3-28-20(26)16-10-12(5-7-14(16)18(22)23)9-13-6-8-15(19(24)25)17(11-13)21(27)29-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)(H,24,25)