[(1S,2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-bromanyl-1-phenyl-propyl] benzoate

Systemtic Name: [(1S,2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-bromanyl-1-phenyl-propyl] benzoate Openeye Name: [(1S,2R)-3-bromo-2-(1,3-dioxoisoindolin-2-yl)-1-phenyl-propyl] benzoate CAS Name: benzoic acid [(1S,2R)-3-bromo-2-(1,3-dioxo-2-isoindolyl)-1-phenylpropyl] ester IUPAC Name: [(1S,2R)-3-bromo-2-(1,3-dioxoisoindol-2-yl)-1-phenylpropyl] benzoate Traditional Name: benzoic acid [(1S,2R)-3-bromo-1-phenyl-2-phthalimido-propyl] ester Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CBr)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@H](CBr)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H18BrNO4/c25-15-20(26-22(27)18-13-7-8-14-19(18)23(26)28)21(16-9-3-1-4-10-16)30-24(29)17-11-5-2-6-12-17/h1-14,20-21H,15H2/t20-,21-/m0/s1