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

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-(1-piperidylmethyl)benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-(1-piperidinylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-(piperidinomethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C18H21Br2NO4 MolecularWeight: 475.17164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCCCC3

InChI

InChI=1S/C18H21Br2NO4/c1-3-24-18(22)15-13(10-21-7-5-4-6-8-21)25-12-9-11(19)17(23-2)16(20)14(12)15/h9H,3-8,10H2,1-2H3