(phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-bromanyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-bromanyl-butanoate Openeye Name: benzyl (2S)-4-bromo-2-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: (2S)-4-bromo-2-(1,3-dioxo-2-isoindolyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-bromo-2-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: (2S)-4-bromo-2-phthalimido-butyric acid benzyl ester Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCBr)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCBr)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H16BrNO4/c20-11-10-16(19(24)25-12-13-6-2-1-3-7-13)21-17(22)14-8-4-5-9-15(14)18(21)23/h1-9,16H,10-12H2/t16-/m0/s1