ethyl 1-[(5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(5-chloro-3,6-dimethyl-benzofuran-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(5-chloro-3,6-dimethyl-2-benzofuranyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(5-chloro-3,6-dimethyl-benzofuran-2-carbonyl)isonipecotic acid ethyl ester Formula: C19H22ClNO4 MolecularWeight: 363.83528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C

InChI

InChI=1S/C19H22ClNO4/c1-4-24-19(23)13-5-7-21(8-6-13)18(22)17-12(3)14-10-15(20)11(2)9-16(14)25-17/h9-10,13H,4-8H2,1-3H3