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

Systemtic Name: ethyl 5-bromanyl-3-[[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[[2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[2-(isopropylamino)-2-keto-ethyl]-methyl-amino]methyl]coumarilic acid ethyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN(C)CC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN(C)CC(=O)NC(C)C

InChI

InChI=1S/C18H23BrN2O4/c1-5-24-18(23)17-14(9-21(4)10-16(22)20-11(2)3)13-8-12(19)6-7-15(13)25-17/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)