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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]proline Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO6/c1-27-17-8-7-13(10-18(17)28-2)21(24-9-5-6-16(24)22(25)26)14-11-19(29-3)20(30-4)12-15(14)23/h7-8,10-12,16,21H,5-6,9H2,1-4H3,(H,25,26)