[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2S)-2-phthalimidopropionic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O5/c1-12-7-3-4-8-14(12)18-22-17(29-23-18)11-28-21(27)13(2)24-19(25)15-9-5-6-10-16(15)20(24)26/h3-10,13H,11H2,1-2H3/t13-/m0/s1