1-[4-(2-methoxyphenyl)-4,5-bis(oxidanyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-phenylmethoxyphenyl)ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)-4,5-bis(oxidanyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-phenylmethoxyphenyl)ethanone Openeye Name: 2-(2-benzyloxyphenyl)-1-[4,5-dihydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]ethanone CAS Name: 1-[4,5-dihydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-phenylmethoxyphenyl)ethanone IUPAC Name: 1-[4,5-dihydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-phenylmethoxyphenyl)ethanone Traditional Name: 2-(2-benzoxyphenyl)-1-[4,5-dihydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]ethanone Formula: C42H41NO5 MolecularWeight: 639.77864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(C(CC(C3C2CN(C3)C(=O)CC4=CC=CC=C4OCC5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)O

Isomeric SMILES

COC1=CC=CC=C1C2(C(CC(C3C2CN(C3)C(=O)CC4=CC=CC=C4OCC5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)O

InChI

InChI=1S/C42H41NO5/c1-47-38-24-14-12-22-34(38)42(46)36-28-43(40(45)25-31-17-11-13-23-37(31)48-29-30-15-5-2-6-16-30)27-35(36)41(26-39(42)44,32-18-7-3-8-19-32)33-20-9-4-10-21-33/h2-24,35-36,39,44,46H,25-29H2,1H3