(E)-4-(2,3-dimethoxy-5-phenylmethoxy-phenyl)-3-ethoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-(2,3-dimethoxy-5-phenylmethoxy-phenyl)-3-ethoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(5-benzyloxy-2,3-dimethoxy-phenyl)-3-ethoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(2,3-dimethoxy-5-phenylmethoxyphenyl)-3-ethoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(2,3-dimethoxy-5-phenylmethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid Traditional Name: (E)-4-(5-benzoxy-2,3-dimethoxy-phenyl)-3-carbethoxy-but-3-enoic acid Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC(=C1OC)OC)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC(=C1OC)OC)OCC2=CC=CC=C2)/CC(=O)O

InChI

InChI=1S/C22H24O7/c1-4-28-22(25)17(12-20(23)24)10-16-11-18(13-19(26-2)21(16)27-3)29-14-15-8-6-5-7-9-15/h5-11,13H,4,12,14H2,1-3H3,(H,23,24)/b17-10+