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

Systemtic Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propyl-phenoxy]propoxy]-2-methyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propyl-phenoxy]propoxy]-2-methyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propylphenoxy]propoxy]-2-methyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-[4-(2,2-dimethylpropyl)-2-propylphenoxy]propoxy]-2-methyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 2-methyl-5-[3-(4-neopentyl-2-propyl-phenoxy)propoxy]coumaran-2-carboxylic acid Formula: C27H36O5 MolecularWeight: 440.57174

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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)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H36O5/c1-6-8-20-15-19(17-26(2,3)4)9-11-23(20)31-14-7-13-30-22-10-12-24-21(16-22)18-27(5,32-24)25(28)29/h9-12,15-16H,6-8,13-14,17-18H2,1-5H3,(H,28,29)