tert-butyl 5-(hydroxymethyl)-7-oxidanylidene-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate

Systemtic Name: tert-butyl 5-(hydroxymethyl)-7-oxidanylidene-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate Openeye Name: tert-butyl 5-(hydroxymethyl)-7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate CAS Name: 5-(hydroxymethyl)-7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(hydroxymethyl)-7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate Traditional Name: 7-keto-5-methylol-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(CC(=O)C2C1)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC(CC(=O)C2C1)CO

InChI

InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-6-10-4-9(8-16)5-12(17)11(10)7-15/h9-11,16H,4-8H2,1-3H3