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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C22H26BrNO6/c1-27-17-9-5-7-13(21(17)30-4)20(24-10-6-8-16(24)22(25)26)14-11-18(28-2)19(29-3)12-15(14)23/h5,7,9,11-12,16,20H,6,8,10H2,1-4H3,(H,25,26)