ethyl 1-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbonyl)isonipecotic acid ethyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C

InChI

InChI=1S/C20H27NO5/c1-5-25-19(24)13-6-8-21(9-7-13)18(23)17-12(2)16-14(22)10-20(3,4)11-15(16)26-17/h13H,5-11H2,1-4H3