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

Systemtic Name: ethyl 5-bromanyl-3-[[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]methyl]coumarilic acid ethyl ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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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)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN(C)CC(=O)NC3CC3

InChI

InChI=1S/C18H21BrN2O4/c1-3-24-18(23)17-14(13-8-11(19)4-7-15(13)25-17)9-21(2)10-16(22)20-12-5-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,20,22)