[(5S,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] N-[3-(dimethylamino)propyl]carbamate

Systemtic Name: [(5S,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] N-[3-(dimethylamino)propyl]carbamate Openeye Name: [(5S,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] N-[3-(dimethylamino)propyl]carbamate CAS Name: N-[3-(dimethylamino)propyl]carbamic acid [(5S,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] ester IUPAC Name: [(5S,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] N-[3-(dimethylamino)propyl]carbamate Traditional Name: N-[3-(dimethylamino)propyl]carbamic acid [(5S,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] ester Formula: C27H32N2O9 MolecularWeight: 528.55098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)OC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

Isomeric SMILES

CN(C)CCCNC(=O)O[C@H]1C2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

InChI

InChI=1S/C27H32N2O9/c1-29(2)7-5-6-28-27(32)38-25-16-11-19-18(36-13-37-19)10-15(16)22(23-17(25)12-35-26(23)31)14-8-20(33-3)24(30)21(9-14)34-4/h8-11,17,22-23,25,30H,5-7,12-13H2,1-4H3,(H,28,32)/t17?,22-,23+,25-/m1/s1