[(1R,2S,3S)-2-methoxy-4-oxidanylidene-3-(phenylmethoxymethyl)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,3S)-2-methoxy-4-oxidanylidene-3-(phenylmethoxymethyl)cyclohexyl] benzoate Openeye Name: [(1R,2S,3S)-3-(benzyloxymethyl)-2-methoxy-4-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,3S)-2-methoxy-4-oxo-3-(phenylmethoxymethyl)cyclohexyl] ester IUPAC Name: [(1R,2S,3S)-2-methoxy-4-oxo-3-(phenylmethoxymethyl)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3S)-3-(benzoxymethyl)-4-keto-2-methoxy-cyclohexyl] ester Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CCC(=O)C1COCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1[C@@H](CCC(=O)[C@H]1COCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24O5/c1-25-21-18(15-26-14-16-8-4-2-5-9-16)19(23)12-13-20(21)27-22(24)17-10-6-3-7-11-17/h2-11,18,20-21H,12-15H2,1H3/t18-,20-,21+/m1/s1