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

Systemtic Name: tert-butyl (2R)-2-[(6S,7aR)-6-bromanyl-2-oxidanylidene-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(6S,7aR)-6-bromo-2-oxo-6,7-dihydrobenzofuran-7a-yl]piperidine-1-carboxylate CAS Name: (2R)-2-[(6S,7aR)-6-bromo-2-oxo-6,7-dihydrobenzofuran-7a-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(6S,7aR)-6-bromo-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate Traditional Name: (2R)-2-[(6S,7aR)-6-bromo-2-keto-6,7-dihydrobenzofuran-7a-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C23CC(C=CC2=CC(=O)O3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO4/c1-17(2,3)24-16(22)20-9-5-4-6-14(20)18-11-13(19)8-7-12(18)10-15(21)23-18/h7-8,10,13-14H,4-6,9,11H2,1-3H3/t13-,14-,18-/m1/s1