1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(3-pyridyl)methyl]proline Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C18H18N2O4/c21-18(22)14-4-2-8-20(14)17(13-3-1-7-19-10-13)12-5-6-15-16(9-12)24-11-23-15/h1,3,5-7,9-10,14,17H,2,4,8,11H2,(H,21,22)