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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]proline Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-24(2)15-9-7-14(8-10-15)21(25-11-5-6-18(25)22(26)27)16-12-19(28-3)20(29-4)13-17(16)23/h7-10,12-13,18,21H,5-6,11H2,1-4H3,(H,26,27)