methyl (E)-2-cyano-2-(3-oxidanylidenepropyl)-5-phenyl-pent-3-enoate

Systemtic Name: methyl (E)-2-cyano-2-(3-oxidanylidenepropyl)-5-phenyl-pent-3-enoate Openeye Name: methyl (E)-2-cyano-2-(3-oxopropyl)-5-phenyl-pent-3-enoate CAS Name: (E)-2-cyano-2-(3-oxopropyl)-5-phenyl-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-2-(3-oxopropyl)-5-phenylpent-3-enoate Traditional Name: (E)-2-cyano-2-(3-ketopropyl)-5-phenyl-pent-3-enoic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=O)(C=CCC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)C(CCC=O)(/C=C/CC1=CC=CC=C1)C#N

InChI

InChI=1S/C16H17NO3/c1-20-15(19)16(13-17,11-6-12-18)10-5-9-14-7-3-2-4-8-14/h2-5,7-8,10,12H,6,9,11H2,1H3/b10-5+