(E)-4-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)-1-benzofuran-2-yl]but-2-enoic acid

Systemtic Name: (E)-4-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)-1-benzofuran-2-yl]but-2-enoic acid Openeye Name: (E)-4-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)benzofuran-2-yl]but-2-enoic acid CAS Name: (E)-4-[7-(3,5-ditert-butyl-2-ethoxyphenyl)-2-benzofuranyl]-2-butenoic acid IUPAC Name: (E)-4-[7-(3,5-ditert-butyl-2-ethoxyphenyl)-1-benzofuran-2-yl]but-2-enoic acid Traditional Name: (E)-4-[7-(3,5-ditert-butyl-2-ethoxy-phenyl)benzofuran-2-yl]but-2-enoic acid Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=CC=CC3=C2OC(=C3)CC=CC(=O)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=CC=CC3=C2OC(=C3)C/C=C/C(=O)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C28H34O4/c1-8-31-26-22(16-19(27(2,3)4)17-23(26)28(5,6)7)21-13-9-11-18-15-20(32-25(18)21)12-10-14-24(29)30/h9-11,13-17H,8,12H2,1-7H3,(H,29,30)/b14-10+