1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]proline Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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