(phenylmethyl) (4S)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) (4S)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-methyl-3-oxidanylidene-hexanoate Openeye Name: benzyl (4S)-4-(1,3-dioxoisoindolin-2-yl)-5-methyl-3-oxo-hexanoate CAS Name: (4S)-4-(1,3-dioxo-2-isoindolyl)-5-methyl-3-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(1,3-dioxoisoindol-2-yl)-5-methyl-3-oxohexanoate Traditional Name: (4S)-3-keto-5-methyl-4-phthalimido-hexanoic acid benzyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)CC(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO5/c1-14(2)20(23-21(26)16-10-6-7-11-17(16)22(23)27)18(24)12-19(25)28-13-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3/t20-/m0/s1