4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole-4,5-diol

Systemtic Name: 4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole-4,5-diol Openeye Name: 4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole-4,5-diol CAS Name: 4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole-4,5-diol IUPAC Name: 4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole-4,5-diol Traditional Name: 4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole-4,5-diol Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(C(CC(C3C2CNC3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O

Isomeric SMILES

COC1=CC=CC=C1C2(C(CC(C3C2CNC3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O

InChI

InChI=1S/C27H29NO3/c1-31-24-15-9-8-14-21(24)27(30)23-18-28-17-22(23)26(16-25(27)29,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,22-23,25,28-30H,16-18H2,1H3