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

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2-(5-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (5,7-dibromo-8-quinolyl) 2-(5-ethylbenzofuran-3-yl)acetate CAS Name: 2-(5-ethyl-3-benzofuranyl)acetic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2-(5-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-ethylbenzofuran-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:

CCC1=CC2=C(C=C1)OC=C2CC(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)OC=C2CC(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

InChI

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