ethyl 3-butanoyl-2-oxidanyl-4-oxidanylidene-6-pyridin-3-yl-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 3-butanoyl-2-oxidanyl-4-oxidanylidene-6-pyridin-3-yl-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 3-butanoyl-2-hydroxy-4-oxo-6-(3-pyridyl)cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-4-oxo-3-(1-oxobutyl)-6-(3-pyridinyl)-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 3-butanoyl-2-hydroxy-4-oxo-6-pyridin-3-ylcyclohex-2-ene-1-carboxylate Traditional Name: 3-butyryl-2-hydroxy-4-keto-6-(3-pyridyl)cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)C2=CN=CC=C2)C(=O)OCC)O

Isomeric SMILES

CCCC(=O)C1=C(C(C(CC1=O)C2=CN=CC=C2)C(=O)OCC)O

InChI

InChI=1S/C18H21NO5/c1-3-6-13(20)16-14(21)9-12(11-7-5-8-19-10-11)15(17(16)22)18(23)24-4-2/h5,7-8,10,12,15,22H,3-4,6,9H2,1-2H3