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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C25H20BrNO5 MolecularWeight: 494.334

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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)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H20BrNO5/c1-15-20-13-17(26)11-12-21(20)31-22(15)25(29)32-23(16-7-4-3-5-8-16)24(28)27-18-9-6-10-19(14-18)30-2/h3-14,23H,1-2H3,(H,27,28)