[(2R,3R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-1-methoxy-1-oxidanylidene-hexan-3-yl] benzoate

Systemtic Name: [(2R,3R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-1-methoxy-1-oxidanylidene-hexan-3-yl] benzoate Openeye Name: [(1R)-1-[(1R)-1-bromo-2-methoxy-2-oxo-ethyl]-4-(1,3-dioxoisoindolin-2-yl)butyl] benzoate CAS Name: benzoic acid [(2R,3R)-2-bromo-6-(1,3-dioxo-2-isoindolyl)-1-methoxy-1-oxohexan-3-yl] ester IUPAC Name: [(2R,3R)-2-bromo-6-(1,3-dioxoisoindol-2-yl)-1-methoxy-1-oxohexan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R)-1-bromo-2-keto-2-methoxy-ethyl]-4-phthalimido-butyl] ester Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CCCN1C(=O)C2=CC=CC=C2C1=O)OC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)[C@@H]([C@@H](CCCN1C(=O)C2=CC=CC=C2C1=O)OC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C22H20BrNO6/c1-29-22(28)18(23)17(30-21(27)14-8-3-2-4-9-14)12-7-13-24-19(25)15-10-5-6-11-16(15)20(24)26/h2-6,8-11,17-18H,7,12-13H2,1H3/t17-,18-/m1/s1