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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-chlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-chlorophenyl)methyl]proline Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClNO4/c1-26-17-10-14(15(21)11-18(17)27-2)19(12-5-3-6-13(22)9-12)23-8-4-7-16(23)20(24)25/h3,5-6,9-11,16,19H,4,7-8H2,1-2H3,(H,24,25)