5-[3-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 5-[3-(4-tert-amyl-2-chloro-phenoxy)propoxy]-2-ethyl-coumaran-2-carboxylic acid Formula: C25H31ClO5 MolecularWeight: 446.96364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(O1)C=CC(=C2)OCCCOC3=C(C=C(C=C3)C(C)(C)CC)Cl)C(=O)O

Isomeric SMILES

CCC1(CC2=C(O1)C=CC(=C2)OCCCOC3=C(C=C(C=C3)C(C)(C)CC)Cl)C(=O)O

InChI

InChI=1S/C25H31ClO5/c1-5-24(3,4)18-8-10-22(20(26)15-18)30-13-7-12-29-19-9-11-21-17(14-19)16-25(6-2,31-21)23(27)28/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,27,28)