1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]proline Formula: C26H26BrNO4 MolecularWeight: 496.39294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4C(=O)O)Br)OC

InChI

InChI=1S/C26H26BrNO4/c1-31-23-15-20(21(27)16-24(23)32-2)25(28-14-6-9-22(28)26(29)30)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16,22,25H,6,9,14H2,1-2H3,(H,29,30)