ethyl 2-acetamido-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-hexanoate

Systemtic Name: ethyl 2-acetamido-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-hexanoate Openeye Name: ethyl 2-acetamido-2-cyano-6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 2-acetamido-2-cyano-6-(1,3-dioxo-2-isoindolyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-2-cyano-6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 2-acetamido-2-cyano-6-phthalimido-hexanoic acid ethyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C(=O)C2=CC=CC=C2C1=O)(C#N)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCN1C(=O)C2=CC=CC=C2C1=O)(C#N)NC(=O)C

InChI

InChI=1S/C19H21N3O5/c1-3-27-18(26)19(12-20,21-13(2)23)10-6-7-11-22-16(24)14-8-4-5-9-15(14)17(22)25/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,21,23)