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

Systemtic Name: 1-[(4-bromophenyl)-pyridin-4-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-pyridin-4-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-pyridin-4-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(4-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=CC=NC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O2/c18-14-5-3-12(4-6-14)16(13-7-9-19-10-8-13)20-11-1-2-15(20)17(21)22/h3-10,15-16H,1-2,11H2,(H,21,22)