1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]proline Formula: C20H20BrCl2NO4 MolecularWeight: 489.1871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2NO4/c1-27-17-9-12(13(21)10-18(17)28-2)19(11-5-6-14(22)15(23)8-11)24-7-3-4-16(24)20(25)26/h5-6,8-10,16,19H,3-4,7H2,1-2H3,(H,25,26)