tert-butyl (E,2R)-2-cyano-5-oxidanylidene-2,5-diphenyl-pent-3-enoate

Systemtic Name: tert-butyl (E,2R)-2-cyano-5-oxidanylidene-2,5-diphenyl-pent-3-enoate Openeye Name: tert-butyl (E,2R)-2-cyano-5-oxo-2,5-diphenyl-pent-3-enoate CAS Name: (E,2R)-2-cyano-5-oxo-2,5-diphenyl-3-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R)-2-cyano-5-oxo-2,5-diphenylpent-3-enoate Traditional Name: (E,2R)-2-cyano-5-keto-2,5-diphenyl-pent-3-enoic acid tert-butyl ester Formula: C22H21NO3 MolecularWeight: 347.40704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)[C@@](/C=C/C(=O)C1=CC=CC=C1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C22H21NO3/c1-21(2,3)26-20(25)22(16-23,18-12-8-5-9-13-18)15-14-19(24)17-10-6-4-7-11-17/h4-15H,1-3H3/b15-14+/t22-/m0/s1