tert-butyl (3S,4R)-4-cyano-3,4-diphenyl-pentanoate

Systemtic Name: tert-butyl (3S,4R)-4-cyano-3,4-diphenyl-pentanoate Openeye Name: tert-butyl (3S,4R)-4-cyano-3,4-diphenyl-pentanoate CAS Name: (3S,4R)-4-cyano-3,4-diphenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-cyano-3,4-diphenylpentanoate Traditional Name: (3S,4R)-4-cyano-3,4-diphenyl-valeric acid tert-butyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2/c1-21(2,3)25-20(24)15-19(17-11-7-5-8-12-17)22(4,16-23)18-13-9-6-10-14-18/h5-14,19H,15H2,1-4H3/t19-,22-/m0/s1