(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(4-morpholin-4-ylphenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(4-morpholin-4-ylphenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(4-morpholinoanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[4-(4-morpholinyl)anilino]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(4-morpholinoanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C31H32N2O8 MolecularWeight: 560.59438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N7CCOCC7

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N7CCOCC7

InChI

InChI=1S/C31H32N2O8/c1-36-25-11-17(12-26(37-2)30(25)34)27-20-13-23-24(41-16-40-23)14-21(20)29(22-15-39-31(35)28(22)27)32-18-3-5-19(6-4-18)33-7-9-38-10-8-33/h3-6,11-14,22,27-29,32,34H,7-10,15-16H2,1-2H3/t22-,27+,28-,29+/m0/s1