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

Systemtic Name: (4-ethanoylphenyl) (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate Openeye Name: (4-acetylphenyl) (2S,3S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phthalimido-valeric acid (4-acetylphenyl) ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=CC=C(C=C1)C(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO5/c1-4-13(2)19(22(27)28-16-11-9-15(10-12-16)14(3)24)23-20(25)17-7-5-6-8-18(17)21(23)26/h5-13,19H,4H2,1-3H3/t13-,19-/m0/s1