tert-butyl (1R,2R,6S)-1-ethanoyl-2-methoxy-4-oxidanylidene-6-phenyl-cyclohexane-1-carboxylate

Systemtic Name: tert-butyl (1R,2R,6S)-1-ethanoyl-2-methoxy-4-oxidanylidene-6-phenyl-cyclohexane-1-carboxylate Openeye Name: tert-butyl (1R,2R,6S)-1-acetyl-2-methoxy-4-oxo-6-phenyl-cyclohexanecarboxylate CAS Name: (1R,2R,6S)-1-acetyl-2-methoxy-4-oxo-6-phenyl-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,6S)-1-acetyl-2-methoxy-4-oxo-6-phenylcyclohexane-1-carboxylate Traditional Name: (1R,2R,6S)-1-acetyl-4-keto-2-methoxy-6-phenyl-cyclohexanecarboxylic acid tert-butyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CC(=O)CC1OC)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26O5/c1-13(21)20(18(23)25-19(2,3)4)16(14-9-7-6-8-10-14)11-15(22)12-17(20)24-5/h6-10,16-17H,11-12H2,1-5H3/t16-,17+,20+/m0/s1