3-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-6-oxidanyl-phenyl)-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-6-oxidanyl-phenyl)-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxy-phenyl)-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxy-phenyl)-1-pyrrolidino-propan-1-one Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C(CC(=O)N2CCCC2)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C(CC(=O)N2CCCC2)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H25NO6/c1-26-15-10-17(24)22(20(11-15)27-2)16(12-21(25)23-7-3-4-8-23)14-5-6-18-19(9-14)29-13-28-18/h5-6,9-11,16,24H,3-4,7-8,12-13H2,1-2H3