7-oxidanyl-4-phenyl-2-(phenylmethyl)-7-(4-propan-2-ylphenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate

Systemtic Name: 7-oxidanyl-4-phenyl-2-(phenylmethyl)-7-(4-propan-2-ylphenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Openeye Name: 2-benzyl-7-hydroxy-7-(4-isopropylphenyl)-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate CAS Name: 7-hydroxy-4-phenyl-2-(phenylmethyl)-7-(4-propan-2-ylphenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-hydroxy-4-phenyl-7-(4-propan-2-ylphenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-hydroxy-7-p-cumenyl-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Formula: C31H34NO3- MolecularWeight: 468.60656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2(CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2(CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5)O

InChI

InChI=1S/C31H35NO3/c1-22(2)24-13-15-26(16-14-24)31(35)18-17-27(25-11-7-4-8-12-25)30(29(33)34)21-32(20-28(30)31)19-23-9-5-3-6-10-23/h3-16,22,27-28,35H,17-21H2,1-2H3,(H,33,34)/p-1