ethyl (3S)-3-cyano-3-[4-(2-methylpropoxy)phenyl]-2-oxidanylidene-propanoate

Systemtic Name: ethyl (3S)-3-cyano-3-[4-(2-methylpropoxy)phenyl]-2-oxidanylidene-propanoate Openeye Name: ethyl (3S)-3-cyano-3-(4-isobutoxyphenyl)-2-oxo-propanoate CAS Name: (3S)-3-cyano-3-[4-(2-methylpropoxy)phenyl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-cyano-3-[4-(2-methylpropoxy)phenyl]-2-oxopropanoate Traditional Name: (3S)-3-cyano-3-(4-isobutoxyphenyl)-2-keto-propionic acid ethyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-4-20-16(19)15(18)14(9-17)12-5-7-13(8-6-12)21-10-11(2)3/h5-8,11,14H,4,10H2,1-3H3/t14-/m1/s1