[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H15FN2O4 MolecularWeight: 306.289003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(C#N)C(=N)C)OC1=CC=C(C=C1)F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)[C@@H](C#N)C(=N)C)OC1=CC=C(C=C1)F

InChI

InChI=1S/C15H15FN2O4/c1-9(18)13(7-17)14(19)8-21-15(20)10(2)22-12-5-3-11(16)4-6-12/h3-6,10,13,18H,8H2,1-2H3/t10-,13-/m0/s1