tert-butyl 2-[5-[2,5-bis(oxidanylidene)-1-phenylmethoxy-heptan-3-yl]-3-bromanyl-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[5-[2,5-bis(oxidanylidene)-1-phenylmethoxy-heptan-3-yl]-3-bromanyl-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[5-[1-(2-benzyloxyacetyl)-3-oxo-pentyl]-3-bromo-benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-(2,5-dioxo-1-phenylmethoxyheptan-3-yl)-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-(2,5-dioxo-1-phenylmethoxyheptan-3-yl)-1-benzofuran-2-yl]benzoate Traditional Name: 2-[5-[1-(2-benzoxyacetyl)-3-keto-pentyl]-3-bromo-benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C33H33BrO6 MolecularWeight: 605.51552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC2=C(C=C1)OC(=C2Br)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)COCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)CC(C1=CC2=C(C=C1)OC(=C2Br)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C33H33BrO6/c1-5-23(35)18-26(28(36)20-38-19-21-11-7-6-8-12-21)22-15-16-29-27(17-22)30(34)31(39-29)24-13-9-10-14-25(24)32(37)40-33(2,3)4/h6-17,26H,5,18-20H2,1-4H3