ethyl 7-iodanyl-4-oxidanylidene-1-(2,4,4-trimethylpentan-2-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 7-iodanyl-4-oxidanylidene-1-(2,4,4-trimethylpentan-2-yl)quinoline-3-carboxylate Openeye Name: ethyl 7-iodo-4-oxo-1-(1,1,3,3-tetramethylbutyl)quinoline-3-carboxylate CAS Name: 7-iodo-4-oxo-1-(2,4,4-trimethylpentan-2-yl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-iodo-4-oxo-1-(2,4,4-trimethylpentan-2-yl)quinoline-3-carboxylate Traditional Name: 7-iodo-4-keto-1-(1,1,3,3-tetramethylbutyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H26INO3 MolecularWeight: 455.32981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)I)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)I)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C20H26INO3/c1-7-25-18(24)15-11-22(20(5,6)12-19(2,3)4)16-10-13(21)8-9-14(16)17(15)23/h8-11H,7,12H2,1-6H3