methyl 2-[(1S,6R)-2-oxidanylidene-6-(phenylcarbonyl)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1S,6R)-2-oxidanylidene-6-(phenylcarbonyl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,2R)-2-benzoyl-6-oxo-cyclohexyl]acetate CAS Name: 2-[(1S,2R)-2-benzoyl-6-oxocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2R)-2-benzoyl-6-oxocyclohexyl]acetate Traditional Name: 2-[(1S,2R)-2-benzoyl-6-keto-cyclohexyl]acetic acid methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(CCCC1=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H]1[C@@H](CCCC1=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18O4/c1-20-15(18)10-13-12(8-5-9-14(13)17)16(19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1