diethyl 4-methyl-4-oxidanyl-6-oxidanylidene-2-quinolin-3-yl-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl 4-methyl-4-oxidanyl-6-oxidanylidene-2-quinolin-3-yl-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl 4-hydroxy-4-methyl-6-oxo-2-(3-quinolyl)cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-4-methyl-6-oxo-2-(3-quinolinyl)cyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-hydroxy-4-methyl-6-oxo-2-quinolin-3-ylcyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-6-keto-4-methyl-2-(3-quinolyl)cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H25NO6/c1-4-28-20(25)18-16(24)11-22(3,27)19(21(26)29-5-2)17(18)14-10-13-8-6-7-9-15(13)23-12-14/h6-10,12,17-19,27H,4-5,11H2,1-3H3