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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O)OC

InChI

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