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

Systemtic Name: cyanomethyl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate Openeye Name: cyanomethyl (2S,3S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phthalimido-valeric acid cyanomethyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC#N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC#N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H16N2O4/c1-3-10(2)13(16(21)22-9-8-17)18-14(19)11-6-4-5-7-12(11)15(18)20/h4-7,10,13H,3,9H2,1-2H3/t10-,13-/m0/s1