[(3R,5S)-2,2,6,6-tetramethyl-5-[(3R)-3-phenylbutanoyl]oxy-heptan-3-yl] benzoate

Systemtic Name: [(3R,5S)-2,2,6,6-tetramethyl-5-[(3R)-3-phenylbutanoyl]oxy-heptan-3-yl] benzoate Openeye Name: [(1R,3S)-1-tert-butyl-4,4-dimethyl-3-[(3R)-3-phenylbutanoyl]oxy-pentyl] benzoate CAS Name: benzoic acid [(3R,5S)-2,2,6,6-tetramethyl-5-[(3R)-1-oxo-3-phenylbutoxy]heptan-3-yl] ester IUPAC Name: [(3R,5S)-2,2,6,6-tetramethyl-5-[(3R)-3-phenylbutanoyl]oxyheptan-3-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-1-tert-butyl-4,4-dimethyl-3-[(3R)-3-phenylbutanoyl]oxy-pentyl] ester Formula: C28H38O4 MolecularWeight: 438.59892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O4/c1-20(21-14-10-8-11-15-21)18-25(29)31-23(27(2,3)4)19-24(28(5,6)7)32-26(30)22-16-12-9-13-17-22/h8-17,20,23-24H,18-19H2,1-7H3/t20-,23+,24-/m1/s1