[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetate CAS Name: 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H20ClIN2O4 MolecularWeight: 490.71987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClIN2O4/c1-11(2)5-7-21-15(23)9-25-16(24)10-26-18-14(20)8-13(19)12-4-3-6-22-17(12)18/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,21,23)