ethyl 2-cyano-3-(4-methoxyphenyl)-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: ethyl 2-cyano-3-(4-methoxyphenyl)-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl 2-cyano-3-(4-methoxyphenyl)-5-oxo-5-phenyl-pentanoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(4-methoxyphenyl)-5-oxo-5-phenylpentanoate Traditional Name: 2-cyano-5-keto-3-(4-methoxyphenyl)-5-phenyl-valeric acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C#N)C(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H21NO4/c1-3-26-21(24)19(14-22)18(15-9-11-17(25-2)12-10-15)13-20(23)16-7-5-4-6-8-16/h4-12,18-19H,3,13H2,1-2H3