1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-pyridin-2-yl-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-pyridin-2-yl-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-pyridinyl)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]proline Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CC2=CC=CC=N2)N3CCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CC2=CC=CC=N2)N3CCCC3C(=O)O)Br)OC

InChI

InChI=1S/C20H23BrN2O4/c1-26-18-11-14(15(21)12-19(18)27-2)17(10-13-6-3-4-8-22-13)23-9-5-7-16(23)20(24)25/h3-4,6,8,11-12,16-17H,5,7,9-10H2,1-2H3,(H,24,25)