[5,7-bis(bromanyl)quinolin-8-yl] 3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Openeye Name: (5,7-dibromo-8-quinolyl) 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylate CAS Name: 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Traditional Name: 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylic acid (5,7-dibromo-8-quinolyl) ester Formula: C21H19Br2NO4 MolecularWeight: 509.18786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

Isomeric SMILES

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

InChI

InChI=1S/C21H19Br2NO4/c1-10-16-14(25)8-21(2,3)9-15(16)27-18(10)20(26)28-19-13(23)7-12(22)11-5-4-6-24-17(11)19/h4-7,14,25H,8-9H2,1-3H3