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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-pyridin-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-pyridyl)methyl]proline Formula: C19H21BrN2O4 MolecularWeight: 421.28504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CC=N2)N3CCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CC=N2)N3CCCC3C(=O)O)Br)OC

InChI

InChI=1S/C19H21BrN2O4/c1-25-16-10-12(13(20)11-17(16)26-2)18(14-6-3-4-8-21-14)22-9-5-7-15(22)19(23)24/h3-4,6,8,10-11,15,18H,5,7,9H2,1-2H3,(H,23,24)