[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C26H18BrNO4 MolecularWeight: 488.32942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H18BrNO4/c1-15-19-13-17(27)11-12-22(19)31-24(15)26(30)32-25(16-7-3-2-4-8-16)23(29)20-14-28-21-10-6-5-9-18(20)21/h2-14,25,28H,1H3