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

Systemtic Name: 1-[(3-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]proline Formula: C21H24BrNO5 MolecularWeight: 450.32296

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO5/c1-26-17-10-9-15(19(27-2)20(17)28-3)18(13-6-4-7-14(22)12-13)23-11-5-8-16(23)21(24)25/h4,6-7,9-10,12,16,18H,5,8,11H2,1-3H3,(H,24,25)