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

Systemtic Name: 7-(3-methoxyphenyl)-7-oxidanyl-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Openeye Name: 2-benzyl-7-hydroxy-7-(3-methoxyphenyl)-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate CAS Name: 7-hydroxy-7-(3-methoxyphenyl)-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-hydroxy-7-(3-methoxyphenyl)-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-hydroxy-7-(3-methoxyphenyl)-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Formula: C29H30NO4- MolecularWeight: 456.5528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5)O

InChI

InChI=1S/C29H31NO4/c1-34-24-14-8-13-23(17-24)29(33)16-15-25(22-11-6-3-7-12-22)28(27(31)32)20-30(19-26(28)29)18-21-9-4-2-5-10-21/h2-14,17,25-26,33H,15-16,18-20H2,1H3,(H,31,32)/p-1