ethyl (3E)-3-[ethoxy(oxidanyl)methylidene]-4-oxidanylidene-1-(4-oxidanylidene-1H-quinolin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (3E)-3-[ethoxy(oxidanyl)methylidene]-4-oxidanylidene-1-(4-oxidanylidene-1H-quinolin-2-yl)cyclohexane-1-carboxylate Openeye Name: ethyl (3E)-3-[ethoxy(hydroxy)methylene]-4-oxo-1-(4-oxo-1H-quinolin-2-yl)cyclohexanecarboxylate CAS Name: (3E)-3-[ethoxy(hydroxy)methylidene]-4-oxo-1-(4-oxo-1H-quinolin-2-yl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3E)-3-[ethoxy(hydroxy)methylidene]-4-oxo-1-(4-oxo-1H-quinolin-2-yl)cyclohexane-1-carboxylate Traditional Name: (3E)-3-[ethoxy(hydroxy)methylene]-4-keto-1-(4-keto-1H-quinolin-2-yl)cyclohexanecarboxylic acid ethyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1CC(CCC1=O)(C2=CC(=O)C3=CC=CC=C3N2)C(=O)OCC)O

Isomeric SMILES

CCO/C(=C/1\CC(CCC1=O)(C2=CC(=O)C3=CC=CC=C3N2)C(=O)OCC)/O

InChI

InChI=1S/C21H23NO6/c1-3-27-19(25)14-12-21(10-9-16(14)23,20(26)28-4-2)18-11-17(24)13-7-5-6-8-15(13)22-18/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H,22,24)/b19-14+