methyl 2-cyano-5-oxidanylidene-3-phenyl-hexanoate

Systemtic Name: methyl 2-cyano-5-oxidanylidene-3-phenyl-hexanoate Openeye Name: methyl 2-cyano-5-oxo-3-phenyl-hexanoate CAS Name: 2-cyano-5-oxo-3-phenylhexanoic acid methyl ester IUPAC Name: methyl 2-cyano-5-oxo-3-phenylhexanoate Traditional Name: 2-cyano-5-keto-3-phenyl-hexanoic acid methyl ester Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-10(16)8-12(11-6-4-3-5-7-11)13(9-15)14(17)18-2/h3-7,12-13H,8H2,1-2H3