ethyl (3R)-3-(4-butoxyphenyl)-3-cyano-2-oxidanylidene-propanoate

Systemtic Name: ethyl (3R)-3-(4-butoxyphenyl)-3-cyano-2-oxidanylidene-propanoate Openeye Name: ethyl (3R)-3-(4-butoxyphenyl)-3-cyano-2-oxo-propanoate CAS Name: (3R)-3-(4-butoxyphenyl)-3-cyano-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(4-butoxyphenyl)-3-cyano-2-oxopropanoate Traditional Name: (3R)-3-(4-butoxyphenyl)-3-cyano-2-keto-propionic acid ethyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C#N)C(=O)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H](C#N)C(=O)C(=O)OCC

InChI

InChI=1S/C16H19NO4/c1-3-5-10-21-13-8-6-12(7-9-13)14(11-17)15(18)16(19)20-4-2/h6-9,14H,3-5,10H2,1-2H3/t14-/m0/s1