[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C26H22BrNO5 MolecularWeight: 508.36058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

InChI

InChI=1S/C26H22BrNO5/c1-3-31-22-12-8-7-11-20(22)28-25(29)24(17-9-5-4-6-10-17)33-26(30)23-16(2)19-15-18(27)13-14-21(19)32-23/h4-15,24H,3H2,1-2H3,(H,28,29)