3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-(2-morpholinoethoxy)phenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one; citric acid CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)-2-furanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[3,4-dimethoxy-5-(2-morpholinoethoxy)benzyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one; citric acid Formula: C39H43NO17 MolecularWeight: 797.75522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OCCN6CCOCC6)OC)OC)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OCCN6CCOCC6)OC)OC)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C33H35NO10.C6H8O7/c1-37-24-7-5-23(6-8-24)33(36)25(30(32(35)44-33)22-4-9-26-27(19-22)43-20-42-26)16-21-17-28(38-2)31(39-3)29(18-21)41-15-12-34-10-13-40-14-11-34;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9,17-19,36H,10-16,20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)