(E)-4-[5-[3-tert-butyl-5-ethyl-2-(methoxymethoxy)phenyl]-1-benzofuran-2-yl]but-2-enoic acid

Systemtic Name: (E)-4-[5-[3-tert-butyl-5-ethyl-2-(methoxymethoxy)phenyl]-1-benzofuran-2-yl]but-2-enoic acid Openeye Name: (E)-4-[5-[3-tert-butyl-5-ethyl-2-(methoxymethoxy)phenyl]benzofuran-2-yl]but-2-enoic acid CAS Name: (E)-4-[5-[3-tert-butyl-5-ethyl-2-(methoxymethoxy)phenyl]-2-benzofuranyl]-2-butenoic acid IUPAC Name: (E)-4-[5-[3-tert-butyl-5-ethyl-2-(methoxymethoxy)phenyl]-1-benzofuran-2-yl]but-2-enoic acid Traditional Name: (E)-4-[5-[3-tert-butyl-5-ethyl-2-(methoxymethoxy)phenyl]benzofuran-2-yl]but-2-enoic acid Formula: C26H30O5 MolecularWeight: 422.5134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C2=CC3=C(C=C2)OC(=C3)CC=CC(=O)O)OCOC)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C2=CC3=C(C=C2)OC(=C3)C/C=C/C(=O)O)OCOC)C(C)(C)C

InChI

InChI=1S/C26H30O5/c1-6-17-12-21(25(30-16-29-5)22(13-17)26(2,3)4)18-10-11-23-19(14-18)15-20(31-23)8-7-9-24(27)28/h7,9-15H,6,8,16H2,1-5H3,(H,27,28)/b9-7+