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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H24ClIN2O4 MolecularWeight: 530.78373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)COC2=C(C=C(C3=C2N=CC=C3)Cl)I

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)COC2=C(C=C(C3=C2N=CC=C3)Cl)I

InChI

InChI=1S/C21H24ClIN2O4/c22-16-11-17(23)21(20-15(16)9-6-10-24-20)29-13-19(27)28-12-18(26)25-14-7-4-2-1-3-5-8-14/h6,9-11,14H,1-5,7-8,12-13H2,(H,25,26)