1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]proline Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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