ethyl 5-chloranyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylate hydrobromide

Systemtic Name: ethyl 5-chloranyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylate hydrobromide Openeye Name: ethyl 5-chloro-3-[(4-pyridylamino)methyl]benzofuran-2-carboxylate hydrobromide CAS Name: 5-chloro-3-[(pyridin-4-ylamino)methyl]-2-benzofurancarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 5-chloro-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylate hydrobromide Traditional Name: 5-chloro-3-[(4-pyridylamino)methyl]coumarilic acid ethyl ester hydrobromide Formula: C17H16BrClN2O3 MolecularWeight: 411.67754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)CNC3=CC=NC=C3.Br

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)CNC3=CC=NC=C3.Br

InChI

InChI=1S/C17H15ClN2O3.BrH/c1-2-22-17(21)16-14(10-20-12-5-7-19-8-6-12)13-9-11(18)3-4-15(13)23-16;/h3-9H,2,10H2,1H3,(H,19,20);1H