phenacyl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate

Systemtic Name: phenacyl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate Openeye Name: phenacyl (2S,3S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanoic acid phenacyl ester IUPAC Name: phenacyl (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phthalimido-valeric acid phenacyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-3-14(2)19(22(27)28-13-18(24)15-9-5-4-6-10-15)23-20(25)16-11-7-8-12-17(16)21(23)26/h4-12,14,19H,3,13H2,1-2H3/t14-,19-/m0/s1