methyl (4R,5S,6R)-6-(3,3-dimethylbutyl)-5-methyl-2-oxidanylidene-4-phenyl-oxane-3-carboxylate

Systemtic Name: methyl (4R,5S,6R)-6-(3,3-dimethylbutyl)-5-methyl-2-oxidanylidene-4-phenyl-oxane-3-carboxylate Openeye Name: methyl (4R,5S,6R)-6-(3,3-dimethylbutyl)-5-methyl-2-oxo-4-phenyl-tetrahydropyran-3-carboxylate CAS Name: (4R,5S,6R)-6-(3,3-dimethylbutyl)-5-methyl-2-oxo-4-phenyl-3-oxanecarboxylic acid methyl ester IUPAC Name: methyl (4R,5S,6R)-6-(3,3-dimethylbutyl)-5-methyl-2-oxo-4-phenyloxane-3-carboxylate Traditional Name: (4R,5S,6R)-6-(3,3-dimethylbutyl)-2-keto-5-methyl-4-phenyl-tetrahydropyran-3-carboxylic acid methyl ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C(C1C2=CC=CC=C2)C(=O)OC)CCC(C)(C)C

Isomeric SMILES

C[C@@H]1[C@H](OC(=O)C([C@@H]1C2=CC=CC=C2)C(=O)OC)CCC(C)(C)C

InChI

InChI=1S/C20H28O4/c1-13-15(11-12-20(2,3)4)24-19(22)17(18(21)23-5)16(13)14-9-7-6-8-10-14/h6-10,13,15-17H,11-12H2,1-5H3/t13-,15-,16+,17?/m1/s1