4-[(5S,5aS,8R,8aR,9R)-5-[(4-fluorophenyl)amino]-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[(5S,5aS,8R,8aR,9R)-5-[(4-fluorophenyl)amino]-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenol Openeye Name: 4-[(5S,5aS,8R,8aR,9R)-5-(4-fluoroanilino)-8-methoxy-5,5a,6,8,8a,9-hexahydroisobenzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenol CAS Name: 4-[(5S,5aS,8R,8aR,9R)-5-(4-fluoroanilino)-8-methoxy-5,5a,6,8,8a,9-hexahydroisobenzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol IUPAC Name: 4-[(5S,5aS,8R,8aR,9R)-5-(4-fluoroanilino)-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol Traditional Name: 4-[(5S,5aS,8R,8aR,9R)-5-(4-fluoroanilino)-8-methoxy-5,5a,6,8,8a,9-hexahydroisobenzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenol Formula: C28H28FNO7 MolecularWeight: 509.522823

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2C(CO1)C(C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)O)OC)OCO4)NC6=CC=C(C=C6)F

Isomeric SMILES

CO[C@H]1[C@H]2[C@H](CO1)[C@@H](C3=CC4=C(C=C3[C@H]2C5=CC(=C(C(=C5)OC)O)OC)OCO4)NC6=CC=C(C=C6)F

InChI

InChI=1S/C28H28FNO7/c1-32-22-8-14(9-23(33-2)27(22)31)24-17-10-20-21(37-13-36-20)11-18(17)26(19-12-35-28(34-3)25(19)24)30-16-6-4-15(29)5-7-16/h4-11,19,24-26,28,30-31H,12-13H2,1-3H3/t19-,24+,25-,26+,28+/m0/s1