(3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetate CAS Name: 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H17ClINO4 MolecularWeight: 461.67865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)COC1=C(C=C(C2=C1N=CC=C2)Cl)I

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)COC1=C(C=C(C2=C1N=CC=C2)Cl)I

InChI

InChI=1S/C17H17ClINO4/c1-17(2,3)13(21)8-23-14(22)9-24-16-12(19)7-11(18)10-5-4-6-20-15(10)16/h4-7H,8-9H2,1-3H3