ethyl 5-bromanyl-3-[[[(1R)-1-phenylethyl]amino]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[[(1R)-1-phenylethyl]amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[[(1R)-1-phenylethyl]amino]methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[(1R)-1-phenylethyl]amino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[[(1R)-1-phenylethyl]amino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[(1R)-1-phenylethyl]amino]methyl]coumarilic acid ethyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CNC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO3/c1-3-24-20(23)19-17(16-11-15(21)9-10-18(16)25-19)12-22-13(2)14-7-5-4-6-8-14/h4-11,13,22H,3,12H2,1-2H3/t13-/m1/s1