tert-butyl 4-oxidanyl-4,7,7-triphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-oxidanyl-4,7,7-triphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-hydroxy-4,7,7-triphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-hydroxy-4,7,7-triphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4,7,7-triphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-hydroxy-4,7,7-triphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C(C1)C(CCC2(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2C(C1)C(CCC2(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C31H35NO3/c1-29(2,3)35-28(33)32-21-26-27(22-32)31(34,25-17-11-6-12-18-25)20-19-30(26,23-13-7-4-8-14-23)24-15-9-5-10-16-24/h4-18,26-27,34H,19-22H2,1-3H3