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

Systemtic Name: tert-butyl (3S,4R)-4-cyano-3,4-diphenyl-octanoate Openeye Name: tert-butyl (3S,4R)-4-cyano-3,4-diphenyl-octanoate CAS Name: (3S,4R)-4-cyano-3,4-diphenyloctanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-cyano-3,4-diphenyloctanoate Traditional Name: (3S,4R)-4-cyano-3,4-diphenyl-caprylic acid tert-butyl ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO2/c1-5-6-17-25(19-26,21-15-11-8-12-16-21)22(20-13-9-7-10-14-20)18-23(27)28-24(2,3)4/h7-16,22H,5-6,17-18H2,1-4H3/t22-,25-/m0/s1