1-[(4-bromophenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3-pyridyl)methyl]proline Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O2/c18-14-7-5-12(6-8-14)16(13-3-1-9-19-11-13)20-10-2-4-15(20)17(21)22/h1,3,5-9,11,15-16H,2,4,10H2,(H,21,22)