1-[2-(3-bromophenyl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(3-bromophenyl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3-bromophenyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(3-bromophenyl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3-bromophenyl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3-bromophenyl)acetyl]proline Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO3/c14-10-4-1-3-9(7-10)8-12(16)15-6-2-5-11(15)13(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)