5-[3-[4-(2,2-dimethylpropyl)-2-propyl-phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propyl-phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propyl-phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propylphenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propylphenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 2-ethyl-5-[3-(4-neopentyl-2-propyl-phenoxy)propoxy]coumaran-2-carboxylic acid Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC(C)(C)C)OCCCOC2=CC3=C(C=C2)OC(C3)(CC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC(C)(C)C)OCCCOC2=CC3=C(C=C2)OC(C3)(CC)C(=O)O

InChI

InChI=1S/C28H38O5/c1-6-9-21-16-20(18-27(3,4)5)10-12-24(21)32-15-8-14-31-23-11-13-25-22(17-23)19-28(7-2,33-25)26(29)30/h10-13,16-17H,6-9,14-15,18-19H2,1-5H3,(H,29,30)