tert-butyl 5-bromanyl-3-(6-iodanylquinolin-2-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-(6-iodanylquinolin-2-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-(6-iodo-2-quinolyl)indole-1-carboxylate CAS Name: 5-bromo-3-(6-iodo-2-quinolinyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-(6-iodoquinolin-2-yl)indole-1-carboxylate Traditional Name: 5-bromo-3-(6-iodo-2-quinolyl)indole-1-carboxylic acid tert-butyl ester Formula: C22H18BrIN2O2 MolecularWeight: 549.19899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C3)C=C(C=C4)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C3)C=C(C=C4)I

InChI

InChI=1S/C22H18BrIN2O2/c1-22(2,3)28-21(27)26-12-17(16-11-14(23)5-9-20(16)26)19-7-4-13-10-15(24)6-8-18(13)25-19/h4-12H,1-3H3