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

Systemtic Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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=C2)Br)N3CCCC3C(=O)O)OC

Isomeric SMILES

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

InChI

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