[(2R,4R)-2-(dodecanoylamino)-4-oxidanyl-4-phenyl-butyl] benzoate

Systemtic Name: [(2R,4R)-2-(dodecanoylamino)-4-oxidanyl-4-phenyl-butyl] benzoate Openeye Name: [(2R,4R)-2-(dodecanoylamino)-4-hydroxy-4-phenyl-butyl] benzoate CAS Name: benzoic acid [(2R,4R)-4-hydroxy-2-(1-oxododecylamino)-4-phenylbutyl] ester IUPAC Name: [(2R,4R)-2-(dodecanoylamino)-4-hydroxy-4-phenylbutyl] benzoate Traditional Name: benzoic acid [(2R,4R)-4-hydroxy-2-(lauroylamino)-4-phenyl-butyl] ester Formula: C29H41NO4 MolecularWeight: 467.64014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC(C1=CC=CC=C1)O)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@H](C[C@H](C1=CC=CC=C1)O)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H41NO4/c1-2-3-4-5-6-7-8-9-16-21-28(32)30-26(22-27(31)24-17-12-10-13-18-24)23-34-29(33)25-19-14-11-15-20-25/h10-15,17-20,26-27,31H,2-9,16,21-23H2,1H3,(H,30,32)/t26-,27-/m1/s1