tert-butyl 2-[3-bromanyl-5-[3-oxidanylidene-2-(2-phenylmethoxyethanoyl)pentyl]-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[3-bromanyl-5-[3-oxidanylidene-2-(2-phenylmethoxyethanoyl)pentyl]-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[5-[2-(2-benzyloxyacetyl)-3-oxo-pentyl]-3-bromo-benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[3-oxo-2-(1-oxo-2-phenylmethoxyethyl)pentyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[3-oxo-2-(2-phenylmethoxyacetyl)pentyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[5-[2-(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)C(CC1=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)C(CC1=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/c1-5-27(35)25(28(36)20-38-19-21-11-7-6-8-12-21)17-22-15-16-29-26(18-22)30(34)31(39-29)23-13-9-10-14-24(23)32(37)40-33(2,3)4/h6-16,18,25H,5,17,19-20H2,1-4H3