tert-butyl 4-(2-methylphenyl)-4-oxidanyl-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-(2-methylphenyl)-4-oxidanyl-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-hydroxy-4-(o-tolyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-hydroxy-4-(2-methylphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4-(2-methylphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-hydroxy-4-(o-tolyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C32H37NO3 MolecularWeight: 483.64108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCC(C3C2CN(C3)C(=O)OC(C)(C)C)(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=CC=C1C2(CCC(C3C2CN(C3)C(=O)OC(C)(C)C)(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C32H37NO3/c1-23-13-11-12-18-26(23)32(35)20-19-31(24-14-7-5-8-15-24,25-16-9-6-10-17-25)27-21-33(22-28(27)32)29(34)36-30(2,3)4/h5-18,27-28,35H,19-22H2,1-4H3