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

Systemtic Name: (5S,5aS,8aR,9R)-5-[[3,5-bis(trifluoromethyl)phenyl]amino]-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-5-[3,5-bis(trifluoromethyl)anilino]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-5-[3,5-bis(trifluoromethyl)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-5-[3,5-bis(trifluoromethyl)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-5-[3,5-bis(trifluoromethyl)anilino]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C29H23F6NO7 MolecularWeight: 611.485839

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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(=CC(=C6)C(F)(F)F)C(F)(F)F

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(=CC(=C6)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H23F6NO7/c1-39-21-3-12(4-22(40-2)26(21)37)23-16-8-19-20(43-11-42-19)9-17(16)25(18-10-41-27(38)24(18)23)36-15-6-13(28(30,31)32)5-14(7-15)29(33,34)35/h3-9,18,23-25,36-37H,10-11H2,1-2H3/t18-,23+,24-,25+/m0/s1