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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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