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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-3-15(20)12-4-6-13(7-5-12)23-10-17(22)24-9-16(21)14(8-18)11(2)19/h4-7,14,19H,3,9-10H2,1-2H3/t14-/m0/s1