diethyl (1S,2R,3R,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2R,3R,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3R,4S)-2-(4-benzyloxyphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(4-benzoxyphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C26H30O7 MolecularWeight: 454.5122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30O7/c1-4-31-24(28)22-20(27)15-26(3,30)23(25(29)32-5-2)21(22)18-11-13-19(14-12-18)33-16-17-9-7-6-8-10-17/h6-14,21-23,30H,4-5,15-16H2,1-3H3/t21-,22+,23-,26-/m0/s1