[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C26H16BrNO4 MolecularWeight: 486.31354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H16BrNO4/c27-18-8-5-7-16(12-18)22-14-20(19-9-2-3-10-21(19)28-22)26(30)31-15-23(29)25-13-17-6-1-4-11-24(17)32-25/h1-14H,15H2