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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H23BrN2O4/c1-12-6-7-15(22-11-12)19(23-8-4-5-16(23)20(24)25)13-9-17(26-2)18(27-3)10-14(13)21/h6-7,9-11,16,19H,4-5,8H2,1-3H3,(H,24,25)