tert-butyl 2-(phenylmethyl)-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylate

Systemtic Name: tert-butyl 2-(phenylmethyl)-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylate Openeye Name: tert-butyl 2-benzyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylate CAS Name: 2-(phenylmethyl)-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylate Traditional Name: 2-benzyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylic acid tert-butyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC=C2C1CN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC=C2C1CN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27NO2/c1-20(2,3)23-19(22)17-11-7-10-16-13-21(14-18(16)17)12-15-8-5-4-6-9-15/h4-6,8-10,17-18H,7,11-14H2,1-3H3