ethyl (2R,3R)-3-(4-cyanophenyl)-2-ethanoyl-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: ethyl (2R,3R)-3-(4-cyanophenyl)-2-ethanoyl-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl (2R,3R)-2-acetyl-3-(4-cyanophenyl)-5-oxo-5-phenyl-pentanoate CAS Name: (2R,3R)-2-acetyl-3-(4-cyanophenyl)-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-acetyl-3-(4-cyanophenyl)-5-oxo-5-phenylpentanoate Traditional Name: (2R,3R)-2-acetyl-3-(4-cyanophenyl)-5-keto-5-phenyl-valeric acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C#N)C(=O)C

InChI

InChI=1S/C22H21NO4/c1-3-27-22(26)21(15(2)24)19(17-11-9-16(14-23)10-12-17)13-20(25)18-7-5-4-6-8-18/h4-12,19,21H,3,13H2,1-2H3/t19-,21-/m0/s1