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

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2-(4,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (5,7-dibromo-8-quinolyl) 2-(4,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(4,6-dimethyl-3-benzofuranyl)acetic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2-(4,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(4,6-dimethylbenzofuran-3-yl)acetic acid (5,7-dibromo-8-quinolyl) ester Formula: C21H15Br2NO3 MolecularWeight: 489.1567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC=C2CC(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC=C2CC(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br)C

InChI

InChI=1S/C21H15Br2NO3/c1-11-6-12(2)19-13(10-26-17(19)7-11)8-18(25)27-21-16(23)9-15(22)14-4-3-5-24-20(14)21/h3-7,9-10H,8H2,1-2H3