ethyl 4,6-bis(bromanyl)-5-methoxy-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-(pyrrolidin-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-(1-pyrrolidinylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-(pyrrolidinomethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C17H19Br2NO4 MolecularWeight: 461.14506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCCC3

InChI

InChI=1S/C17H19Br2NO4/c1-3-23-17(21)14-12(9-20-6-4-5-7-20)24-11-8-10(18)16(22-2)15(19)13(11)14/h8H,3-7,9H2,1-2H3