[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C20H18BrNO4/c1-12-16-10-15(21)8-9-17(16)26-19(12)20(24)25-11-18(23)22-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,22,23)