tert-butyl (2R,3R)-2,6,6-trimethyl-5-oxidanylidene-3-[(1S)-1-phenylmethoxyethyl]heptanoate

Systemtic Name: tert-butyl (2R,3R)-2,6,6-trimethyl-5-oxidanylidene-3-[(1S)-1-phenylmethoxyethyl]heptanoate Openeye Name: tert-butyl (2R,3R)-3-[(1S)-1-benzyloxyethyl]-2,6,6-trimethyl-5-oxo-heptanoate CAS Name: (2R,3R)-2,6,6-trimethyl-5-oxo-3-[(1S)-1-phenylmethoxyethyl]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2,6,6-trimethyl-5-oxo-3-[(1S)-1-phenylmethoxyethyl]heptanoate Traditional Name: (2R,3R)-3-[(1S)-1-benzoxyethyl]-5-keto-2,6,6-trimethyl-enanthic acid tert-butyl ester Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)C(C)(C)C)C(C)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@@H](CC(=O)C(C)(C)C)[C@H](C)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H36O4/c1-16(21(25)27-23(6,7)8)19(14-20(24)22(3,4)5)17(2)26-15-18-12-10-9-11-13-18/h9-13,16-17,19H,14-15H2,1-8H3/t16-,17+,19-/m1/s1