7-(4-chlorophenyl)-7-oxidanyl-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydroisoindole-3a-carboxylate

Systemtic Name: 7-(4-chlorophenyl)-7-oxidanyl-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydroisoindole-3a-carboxylate Openeye Name: 2-benzyl-7-(4-chlorophenyl)-7-hydroxy-4-phenyl-3,4,5,6-tetrahydroisoindole-3a-carboxylate CAS Name: 7-(4-chlorophenyl)-7-hydroxy-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydroisoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-(4-chlorophenyl)-7-hydroxy-4-phenyl-3,4,5,6-tetrahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-(4-chlorophenyl)-7-hydroxy-4-phenyl-3,4,5,6-tetrahydroisoindole-3a-carboxylate Formula: C28H25ClNO3- MolecularWeight: 458.956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)(C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1CC(C2=CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)(C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C28H26ClNO3/c29-23-13-11-22(12-14-23)28(33)16-15-24(21-9-5-2-6-10-21)27(26(31)32)19-30(18-25(27)28)17-20-7-3-1-4-8-20/h1-14,18,24,33H,15-17,19H2,(H,31,32)/p-1