tert-butyl 4-(hydroxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-(hydroxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-(hydroxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-(hydroxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(hydroxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-methylol-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C=CCC(C2C1)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2C=CCC(C2C1)CO

InChI

InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-7-10-5-4-6-11(9-16)12(10)8-15/h4-5,10-12,16H,6-9H2,1-3H3