[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)OCC

InChI

InChI=1S/C18H22N2O5/c1-4-8-24-16-7-6-13(9-17(16)23-5-2)18(22)25-11-15(21)14(10-19)12(3)20/h6-7,9,14,20H,4-5,8,11H2,1-3H3/t14-/m0/s1