1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]proline Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C20H22BrNO4/c1-25-17-10-4-8-15(19(17)26-2)18(13-6-3-7-14(21)12-13)22-11-5-9-16(22)20(23)24/h3-4,6-8,10,12,16,18H,5,9,11H2,1-2H3,(H,23,24)