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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]proline Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCCC3C(=O)O

InChI

InChI=1S/C20H23BrN2O3/c1-3-26-18-9-7-14(21)11-15(18)19(16-8-6-13(2)12-22-16)23-10-4-5-17(23)20(24)25/h6-9,11-12,17,19H,3-5,10H2,1-2H3,(H,24,25)