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

Systemtic Name: [(2S,3R)-2-azido-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methoxy-1-oxidanylidene-hexan-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1-azido-2-methoxy-2-oxo-ethyl]-4-(1,3-dioxoisoindolin-2-yl)butyl] benzoate CAS Name: benzoic acid [(2S,3R)-2-azido-6-(1,3-dioxo-2-isoindolyl)-1-methoxy-1-oxohexan-3-yl] ester IUPAC Name: [(2S,3R)-2-azido-6-(1,3-dioxoisoindol-2-yl)-1-methoxy-1-oxohexan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1-azido-2-keto-2-methoxy-ethyl]-4-phthalimido-butyl] ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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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)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O6/c1-31-22(30)18(24-25-23)17(32-21(29)14-8-3-2-4-9-14)12-7-13-26-19(27)15-10-5-6-11-16(15)20(26)28/h2-6,8-11,17-18H,7,12-13H2,1H3/t17-,18+/m1/s1