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

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-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-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22ClIN2O4 MolecularWeight: 528.76785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)COC2=C(C=C(C3=C2N=CC=C3)Cl)I

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)COC2=C(C=C(C3=C2N=CC=C3)Cl)I

InChI

InChI=1S/C21H22ClIN2O4/c22-16-11-17(23)21(20-15(16)7-4-9-25-20)29-13-19(27)28-12-18(26)24-10-8-14-5-2-1-3-6-14/h4-5,7,9,11H,1-3,6,8,10,12-13H2,(H,24,26)