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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]proline Formula: C21H23BrClNO5 MolecularWeight: 484.76802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClNO5/c1-27-17-7-6-12(23)9-14(17)20(24-8-4-5-16(24)21(25)26)13-10-18(28-2)19(29-3)11-15(13)22/h6-7,9-11,16,20H,4-5,8H2,1-3H3,(H,25,26)