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

Systemtic Name: bis(2-methylpropyl) (1S,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisobutyl (1S,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) (1S,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(4-dimethylaminophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diisobutyl ester Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO6/c1-15(2)13-31-23(28)21-19(27)12-25(5,30)22(24(29)32-14-16(3)4)20(21)17-8-10-18(11-9-17)26(6)7/h8-11,15-16,20-22,30H,12-14H2,1-7H3/t20-,21+,22-,25-/m0/s1