1-[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-(4-fluorophenyl)urea

Systemtic Name: 1-[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-(4-fluorophenyl)urea Openeye Name: 1-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-(4-fluorophenyl)urea CAS Name: 1-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-(4-fluorophenyl)urea IUPAC Name: 1-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-(4-fluorophenyl)urea Traditional Name: 1-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-keto-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-(4-fluorophenyl)urea Formula: C28H25FN2O8 MolecularWeight: 536.505103

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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)NC(=O)NC6=CC=C(C=C6)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)NC(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C28H25FN2O8/c1-35-21-7-13(8-22(36-2)26(21)32)23-16-9-19-20(39-12-38-19)10-17(16)25(18-11-37-27(33)24(18)23)31-28(34)30-15-5-3-14(29)4-6-15/h3-10,18,23-25,32H,11-12H2,1-2H3,(H2,30,31,34)/t18-,23+,24-,25+/m0/s1