1-[(4-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2,6-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

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

InChI

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