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

Systemtic Name: ethyl 1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(5-bromo-3-methyl-benzofuran-2-carbonyl)isonipecotic acid ethyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C18H20BrNO4/c1-3-23-18(22)12-6-8-20(9-7-12)17(21)16-11(2)14-10-13(19)4-5-15(14)24-16/h4-5,10,12H,3,6-9H2,1-2H3