[(2R,3S,6S)-2,6-dimethyl-7-oxidanylidene-1-phenylmethoxy-heptan-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3S,6S)-2,6-dimethyl-7-oxidanylidene-1-phenylmethoxy-heptan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(1S,4S)-1-[(1R)-2-benzyloxy-1-methyl-ethyl]-4-methyl-5-oxo-pentyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3S,6S)-2,6-dimethyl-7-oxo-1-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(2R,3S,6S)-2,6-dimethyl-7-oxo-1-phenylmethoxyheptan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,4S)-1-[(1R)-2-benzoxy-1-methyl-ethyl]-5-keto-4-methyl-pentyl] ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)COCC1=CC=CC=C1)OC(=O)C(C)(C)C)C=O

Isomeric SMILES

C[C@@H](CC[C@@H]([C@H](C)COCC1=CC=CC=C1)OC(=O)C(C)(C)C)C=O

InChI

InChI=1S/C21H32O4/c1-16(13-22)11-12-19(25-20(23)21(3,4)5)17(2)14-24-15-18-9-7-6-8-10-18/h6-10,13,16-17,19H,11-12,14-15H2,1-5H3/t16-,17+,19-/m0/s1