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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]proline Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C19H18BrNO4/c20-14-5-2-1-4-13(14)18(21-9-3-6-15(21)19(22)23)12-7-8-16-17(10-12)25-11-24-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2,(H,22,23)