(E)-4-[3,5-dimethoxy-4-(phenylcarbonyloxy)phenyl]-3-methoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-[3,5-dimethoxy-4-(phenylcarbonyloxy)phenyl]-3-methoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(4-benzoyloxy-3,5-dimethoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(4-benzoyloxy-3,5-dimethoxyphenyl)-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(4-benzoyloxy-3,5-dimethoxyphenyl)-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E)-4-(4-benzoyloxy-3,5-dimethoxy-phenyl)-3-carbomethoxy-but-3-enoic acid Formula: C21H20O8 MolecularWeight: 400.3787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)C=C(CC(=O)O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)/C=C(\CC(=O)O)/C(=O)OC

InChI

InChI=1S/C21H20O8/c1-26-16-10-13(9-15(12-18(22)23)20(24)28-3)11-17(27-2)19(16)29-21(25)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,22,23)/b15-9+