tert-butyl (2R)-2-[(7aS)-2-oxidanylidene-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[(7aS)-2-oxidanylidene-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(7aS)-2-oxo-6,7-dihydrobenzofuran-7a-yl]piperidine-1-carboxylate CAS Name: (2R)-2-[(7aS)-2-oxo-6,7-dihydrobenzofuran-7a-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(7aS)-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate Traditional Name: (2R)-2-[(7aS)-2-keto-6,7-dihydrobenzofuran-7a-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C23CCC=CC2=CC(=O)O3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@]23CCC=CC2=CC(=O)O3

InChI

InChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-11-7-5-9-14(19)18-10-6-4-8-13(18)12-15(20)22-18/h4,8,12,14H,5-7,9-11H2,1-3H3/t14-,18+/m1/s1