1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]proline Formula: C28H29NO7 MolecularWeight: 491.53236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCCC5C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCCC5C(=O)O

InChI

InChI=1S/C28H29NO7/c1-32-24-14-20(15-25(33-2)27(24)34-16-18-7-4-3-5-8-18)26(29-12-6-9-21(29)28(30)31)19-10-11-22-23(13-19)36-17-35-22/h3-5,7-8,10-11,13-15,21,26H,6,9,12,16-17H2,1-2H3,(H,30,31)