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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3R)-3-phenylbutanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11(13-6-4-3-5-7-13)8-16(20)21-10-15(19)14(9-17)12(2)18/h3-7,11,14,18H,8,10H2,1-2H3/t11-,14+/m1/s1