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

Systemtic Name: [(1R,2S,3S)-2-methoxy-4-methylidene-3-(phenylmethoxymethyl)cyclohexyl] benzoate Openeye Name: [(1R,2S,3S)-3-(benzyloxymethyl)-2-methoxy-4-methylene-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,3S)-2-methoxy-4-methylene-3-(phenylmethoxymethyl)cyclohexyl] ester IUPAC Name: [(1R,2S,3S)-2-methoxy-4-methylidene-3-(phenylmethoxymethyl)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3S)-3-(benzoxymethyl)-2-methoxy-4-methylene-cyclohexyl] ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O4/c1-17-13-14-21(27-23(24)19-11-7-4-8-12-19)22(25-2)20(17)16-26-15-18-9-5-3-6-10-18/h3-12,20-22H,1,13-16H2,2H3/t20-,21-,22+/m1/s1