(E)-4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(4-benzyloxy-3,5-dimethoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E)-4-(4-benzoxy-3,5-dimethoxy-phenyl)-3-carbomethoxy-but-3-enoic acid Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C=C(CC(=O)O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)/C=C(\CC(=O)O)/C(=O)OC

InChI

InChI=1S/C21H22O7/c1-25-17-10-15(9-16(12-19(22)23)21(24)27-3)11-18(26-2)20(17)28-13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,22,23)/b16-9+