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

Systemtic Name: (4-methylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: p-tolyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-phthalimido-valeric acid p-tolyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)[C@H](CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4/c1-13(2)12-18(21(25)26-15-10-8-14(3)9-11-15)22-19(23)16-6-4-5-7-17(16)20(22)24/h4-11,13,18H,12H2,1-3H3/t18-/m0/s1