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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-bromophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]proline Formula: C20H21Br2NO4 MolecularWeight: 499.19304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O)Br)OC

InChI

InChI=1S/C20H21Br2NO4/c1-26-17-10-13(15(22)11-18(17)27-2)19(12-6-3-4-7-14(12)21)23-9-5-8-16(23)20(24)25/h3-4,6-7,10-11,16,19H,5,8-9H2,1-2H3,(H,24,25)