[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H20N2O5/c1-12(20)16(10-19)17(22)11-25-18(23)4-3-9-24-15-7-5-14(6-8-15)13(2)21/h5-8,16,20H,3-4,9,11H2,1-2H3/t16-/m0/s1