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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-fluorophenyl)methyl]proline Formula: C20H21BrFNO4 MolecularWeight: 438.287443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFNO4/c1-26-17-10-14(15(21)11-18(17)27-2)19(12-5-7-13(22)8-6-12)23-9-3-4-16(23)20(24)25/h5-8,10-11,16,19H,3-4,9H2,1-2H3,(H,24,25)