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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COCCOC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H23NO6/c1-25-8-9-26-15-5-2-13(3-6-15)20-19(21(23)24)16(11-22-20)14-4-7-17-18(10-14)28-12-27-17/h2-7,10,16,19-20,22H,8-9,11-12H2,1H3,(H,23,24)