1-[1,3-benzodioxol-5-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]proline Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O)Br)OC

InChI

InChI=1S/C21H22BrNO6/c1-26-17-9-13(14(22)10-18(17)27-2)20(23-7-3-4-15(23)21(24)25)12-5-6-16-19(8-12)29-11-28-16/h5-6,8-10,15,20H,3-4,7,11H2,1-2H3,(H,24,25)