[5,7-bis(bromanyl)quinolin-8-yl] 2-(5-chloranyl-4,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2-(5-chloranyl-4,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (5,7-dibromo-8-quinolyl) 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetate CAS Name: 2-(5-chloro-4,6-dimethyl-3-benzofuranyl)acetic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetic acid (5,7-dibromo-8-quinolyl) ester Formula: C21H14Br2ClNO3 MolecularWeight: 523.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CO2)CC(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CO2)CC(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

InChI

InChI=1S/C21H14Br2ClNO3/c1-10-6-16-18(11(2)19(10)24)12(9-27-16)7-17(26)28-21-15(23)8-14(22)13-4-3-5-25-20(13)21/h3-6,8-9H,7H2,1-2H3