(phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanyl-hexanoate

Systemtic Name: (phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanyl-hexanoate Openeye Name: benzyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-6-hydroxy-hexanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-6-hydroxyhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-hydroxyhexanoate Traditional Name: (2S)-6-hydroxy-2-phthalimido-hexanoic acid benzyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c23-13-7-6-12-18(21(26)27-14-15-8-2-1-3-9-15)22-19(24)16-10-4-5-11-17(16)20(22)25/h1-5,8-11,18,23H,6-7,12-14H2/t18-/m0/s1