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

Systemtic Name: [(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] N-[3-(dimethylamino)propyl]-N-methyl-carbamate Openeye Name: [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] N-[3-(dimethylamino)propyl]-N-methyl-carbamate CAS Name: N-[3-(dimethylamino)propyl]-N-methylcarbamic acid [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester IUPAC Name: [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] N-[3-(dimethylamino)propyl]-N-methylcarbamate Traditional Name: N-[3-(dimethylamino)propyl]-N-methyl-carbamic acid [(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6-keto-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester Formula: C28H34N2O9 MolecularWeight: 542.57756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C)C(=O)OC1C2C(COC2=O)C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

Isomeric SMILES

CN(C)CCCN(C)C(=O)O[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC

InChI

InChI=1S/C28H34N2O9/c1-29(2)7-6-8-30(3)28(33)39-26-17-12-20-19(37-14-38-20)11-16(17)23(18-13-36-27(32)24(18)26)15-9-21(34-4)25(31)22(10-15)35-5/h9-12,18,23-24,26,31H,6-8,13-14H2,1-5H3/t18-,23-,24+,26-/m1/s1