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

Systemtic Name: methyl 1-[(3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-yl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carbonyl)isonipecotic acid methyl ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H27NO5/c1-11-15-13(21)9-19(2,3)10-14(15)25-16(11)17(22)20-7-5-12(6-8-20)18(23)24-4/h12-13,21H,5-10H2,1-4H3