ethyl 3-[(4-aminocarbonylpiperidin-1-yl)methyl]-5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-aminocarbonylpiperidin-1-yl)methyl]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-carbamoyl-1-piperidyl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-carbamoyl-1-piperidinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-carbamoylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(4-carbamoylpiperidino)methyl]coumarilic acid ethyl ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H21BrN2O4/c1-2-24-18(23)16-14(13-9-12(19)3-4-15(13)25-16)10-21-7-5-11(6-8-21)17(20)22/h3-4,9,11H,2,5-8,10H2,1H3,(H2,20,22)