[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetate CAS Name: 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]acetic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18ClIN2O4 MolecularWeight: 524.73609

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)COC2=C(C=C(C3=C2N=CC=C3)Cl)I

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)COC2=C(C=C(C3=C2N=CC=C3)Cl)I

InChI

InChI=1S/C21H18ClIN2O4/c1-25(2)21(27)19(13-7-4-3-5-8-13)29-17(26)12-28-20-16(23)11-15(22)14-9-6-10-24-18(14)20/h3-11,19H,12H2,1-2H3