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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C17H20BrNO4 MolecularWeight: 382.249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C

InChI

InChI=1S/C17H20BrNO4/c1-4-5-10(2)19-15(20)9-22-17(21)16-11(3)13-8-12(18)6-7-14(13)23-16/h6-8,10H,4-5,9H2,1-3H3,(H,19,20)