[(2R,3R)-2-methyl-7-oxidanylidene-1-phenyl-heptan-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3R)-2-methyl-7-oxidanylidene-1-phenyl-heptan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(1R)-1-[(1R)-1-methyl-2-phenyl-ethyl]-5-oxo-pentyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3R)-2-methyl-7-oxo-1-phenylheptan-3-yl] ester IUPAC Name: [(2R,3R)-2-methyl-7-oxo-1-phenylheptan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1R)-5-keto-1-[(1R)-1-methyl-2-phenyl-ethyl]pentyl] ester Formula: C19H28O3 MolecularWeight: 304.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CCCC=O)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)[C@@H](CCCC=O)OC(=O)C(C)(C)C

InChI

InChI=1S/C19H28O3/c1-15(14-16-10-6-5-7-11-16)17(12-8-9-13-20)22-18(21)19(2,3)4/h5-7,10-11,13,15,17H,8-9,12,14H2,1-4H3/t15-,17-/m1/s1