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

Systemtic Name: 1-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-(3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbonyl)isonipecotic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-10-14-12(20)8-18(2,3)9-13(14)24-15(10)16(21)19-6-4-11(5-7-19)17(22)23/h11H,4-9H2,1-3H3,(H,22,23)