ethyl 4,6-bis(bromanyl)-5-methoxy-2-[(pyridin-2-ylamino)methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-[(pyridin-2-ylamino)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-[(2-pyridylamino)methyl]benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-[(2-pyridinylamino)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-[(pyridin-2-ylamino)methyl]-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-[(2-pyridylamino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H16Br2N2O4 MolecularWeight: 484.13864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CNC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CNC3=CC=CC=N3

InChI

InChI=1S/C18H16Br2N2O4/c1-3-25-18(23)15-12(9-22-13-6-4-5-7-21-13)26-11-8-10(19)17(24-2)16(20)14(11)15/h4-8H,3,9H2,1-2H3,(H,21,22)