tert-butyl (2R)-2-[2-(3-bromanyl-7-chloranyl-6-iodanyl-quinolin-4-yl)oxyethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[2-(3-bromanyl-7-chloranyl-6-iodanyl-quinolin-4-yl)oxyethyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[2-[(3-bromo-7-chloro-6-iodo-4-quinolyl)oxy]ethyl]piperidine-1-carboxylate CAS Name: (2R)-2-[2-[(3-bromo-7-chloro-6-iodo-4-quinolinyl)oxy]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[2-(3-bromo-7-chloro-6-iodoquinolin-4-yl)oxyethyl]piperidine-1-carboxylate Traditional Name: (2R)-2-[2-[(3-bromo-7-chloro-6-iodo-4-quinolyl)oxy]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H25BrClIN2O3 MolecularWeight: 595.69627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1CCOC2=C(C=NC3=CC(=C(C=C32)I)Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOC2=C(C=NC3=CC(=C(C=C32)I)Cl)Br

InChI

InChI=1S/C21H25BrClIN2O3/c1-21(2,3)29-20(27)26-8-5-4-6-13(26)7-9-28-19-14-10-17(24)16(23)11-18(14)25-12-15(19)22/h10-13H,4-9H2,1-3H3/t13-/m1/s1