(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-(pyridin-3-ylamino)-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-(pyridin-3-ylamino)-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-(3-pyridylamino)-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-(3-pyridinylamino)-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-(pyridin-3-ylamino)-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-(3-pyridylamino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C26H24N2O7 MolecularWeight: 476.47796

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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=CN=CC=C6

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=CN=CC=C6

InChI

InChI=1S/C26H24N2O7/c1-31-20-6-13(7-21(32-2)25(20)29)22-15-8-18-19(35-12-34-18)9-16(15)24(17-11-33-26(30)23(17)22)28-14-4-3-5-27-10-14/h3-10,17,22-24,28-29H,11-12H2,1-2H3/t17-,22+,23-,24+/m0/s1