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

Systemtic Name: diethyl (1R,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1R,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6/c1-6-27-19(24)17-15(23)12-21(3,26)18(20(25)28-7-2)16(17)13-8-10-14(11-9-13)22(4)5/h8-11,16-18,26H,6-7,12H2,1-5H3/t16-,17-,18-,21-/m0/s1