1-[3-[4-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]butyl]-4-oxidanylidene-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione

Systemtic Name: 1-[3-[4-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]butyl]-4-oxidanylidene-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Openeye Name: 1-[3-[4-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]butyl]-4-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione CAS Name: 1-[3-[4-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]butyl]-4-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione IUPAC Name: 1-[3-[4-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]butyl]-4-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Traditional Name: 1-[3-[4-(3,4-dimethoxyphenyl)-2-veratryl-butyl]-4-keto-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Formula: C39H48N2O10 MolecularWeight: 704.80582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(CC2=CC(=C(C=C2)OC)OC)CN3CC4CCCC(C3=O)N4C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(CC2=CC(=C(C=C2)OC)OC)CN3CC4CCCC(C3=O)N4C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)OC

InChI

InChI=1S/C39H48N2O10/c1-45-30-15-13-24(18-32(30)47-3)11-12-26(17-25-14-16-31(46-2)33(19-25)48-4)22-40-23-28-9-8-10-29(38(40)43)41(28)39(44)36(42)27-20-34(49-5)37(51-7)35(21-27)50-6/h13-16,18-21,26,28-29H,8-12,17,22-23H2,1-7H3