1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]proline Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-25-15-9-10-18(26-2)16(12-15)19(13-5-7-14(21)8-6-13)22-11-3-4-17(22)20(23)24/h5-10,12,17,19H,3-4,11H2,1-2H3,(H,23,24)