ethyl (E)-2-cyano-2-(3-methylbutyl)-5-oxidanylidene-3-phenyl-hex-3-enoate

Systemtic Name: ethyl (E)-2-cyano-2-(3-methylbutyl)-5-oxidanylidene-3-phenyl-hex-3-enoate Openeye Name: ethyl (E)-2-cyano-2-isopentyl-5-oxo-3-phenyl-hex-3-enoate CAS Name: (E)-2-cyano-2-(3-methylbutyl)-5-oxo-3-phenyl-3-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-2-(3-methylbutyl)-5-oxo-3-phenylhex-3-enoate Traditional Name: (E)-2-cyano-2-isoamyl-5-keto-3-phenyl-hex-3-enoic acid ethyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(CCC(C)C)(C#N)/C(=C/C(=O)C)/C1=CC=CC=C1

InChI

InChI=1S/C20H25NO3/c1-5-24-19(23)20(14-21,12-11-15(2)3)18(13-16(4)22)17-9-7-6-8-10-17/h6-10,13,15H,5,11-12H2,1-4H3/b18-13+