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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(4-pyridyl)methyl]proline Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H18N2O4/c21-18(22)14-2-1-9-20(14)17(12-5-7-19-8-6-12)13-3-4-15-16(10-13)24-11-23-15/h3-8,10,14,17H,1-2,9,11H2,(H,21,22)