methyl (1R,2S,3S,6S)-6-ethoxy-2-methanoyl-3-methyl-3-(2-phenylmethoxyethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S,6S)-6-ethoxy-2-methanoyl-3-methyl-3-(2-phenylmethoxyethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S,6S)-3-(2-benzyloxyethyl)-6-ethoxy-2-formyl-3-methyl-cyclohexanecarboxylate CAS Name: (1R,2S,3S,6S)-6-ethoxy-2-formyl-3-methyl-3-(2-phenylmethoxyethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S,6S)-6-ethoxy-2-formyl-3-methyl-3-(2-phenylmethoxyethyl)cyclohexane-1-carboxylate Traditional Name: (1R,2S,3S,6S)-3-(2-benzoxyethyl)-6-ethoxy-2-formyl-3-methyl-cyclohexanecarboxylic acid methyl ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(C(C1C(=O)OC)C=O)(C)CCOCC2=CC=CC=C2

Isomeric SMILES

CCO[C@H]1CC[C@@]([C@H]([C@H]1C(=O)OC)C=O)(C)CCOCC2=CC=CC=C2

InChI

InChI=1S/C21H30O5/c1-4-26-18-10-11-21(2,17(14-22)19(18)20(23)24-3)12-13-25-15-16-8-6-5-7-9-16/h5-9,14,17-19H,4,10-13,15H2,1-3H3/t17-,18-,19+,21-/m0/s1