1-[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanyl-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-[3-[4-azanylbutyl(ethyl)amino]propyl]urea

Systemtic Name: 1-[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanyl-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-[3-[4-azanylbutyl(ethyl)amino]propyl]urea Openeye Name: 1-[(5S,5aS,8aR,9R)-8-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-[3-[4-aminobutyl(ethyl)amino]propyl]urea CAS Name: 1-[(5S,5aS,8aR,9R)-8-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-[3-[4-aminobutyl(ethyl)amino]propyl]urea IUPAC Name: 1-[(5S,5aS,8aR,9R)-8-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-[3-[4-aminobutyl(ethyl)amino]propyl]urea Traditional Name: 1-[(5S,5aS,8aR,9R)-8-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-[3-[4-aminobutyl(ethyl)amino]propyl]urea Formula: C31H44N4O8 MolecularWeight: 600.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN)CCCNC(=O)NC1C2COC(C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)O

Isomeric SMILES

CCN(CCCCN)CCCNC(=O)N[C@H]1[C@H]2COC([C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)O

InChI

InChI=1S/C31H44N4O8/c1-4-35(10-6-5-8-32)11-7-9-33-31(38)34-28-20-15-23-22(42-17-43-23)14-19(20)26(27-21(28)16-41-30(27)37)18-12-24(39-2)29(36)25(13-18)40-3/h12-15,21,26-28,30,36-37H,4-11,16-17,32H2,1-3H3,(H2,33,34,38)/t21-,26+,27-,28+,30?/m0/s1