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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-methoxyphenyl)methyl]proline Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO5/c1-26-14-8-6-13(7-9-14)20(23-10-4-5-17(23)21(24)25)15-11-18(27-2)19(28-3)12-16(15)22/h6-9,11-12,17,20H,4-5,10H2,1-3H3,(H,24,25)