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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]proline Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O)OC

InChI

InChI=1S/C22H25NO6/c1-3-27-19-11-14(6-8-17(19)26-2)21(23-10-4-5-16(23)22(24)25)15-7-9-18-20(12-15)29-13-28-18/h6-9,11-12,16,21H,3-5,10,13H2,1-2H3,(H,24,25)