methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-cyano-pentanoate

Systemtic Name: methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-cyano-pentanoate Openeye Name: methyl (2S)-5-cyano-2-(1,3-dioxoisoindolin-2-yl)pentanoate CAS Name: (2S)-5-cyano-2-(1,3-dioxo-2-isoindolyl)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-cyano-2-(1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: (2S)-5-cyano-2-phthalimido-valeric acid methyl ester Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC#N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c1-21-15(20)12(8-4-5-9-16)17-13(18)10-6-2-3-7-11(10)14(17)19/h2-3,6-7,12H,4-5,8H2,1H3/t12-/m0/s1