[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-phthalimido-propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)[C@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)/N

InChI

InChI=1S/C23H19N3O5/c1-14(25)18(12-24)20(27)13-31-23(30)19(11-15-7-3-2-4-8-15)26-21(28)16-9-5-6-10-17(16)22(26)29/h2-10,19H,11,13,25H2,1H3/b18-14+/t19-/m0/s1