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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxy-phenyl)methyl]proline Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5/c1-25-16-7-5-13(21)10-14(16)19(22-8-2-3-15(22)20(23)24)12-4-6-17-18(9-12)27-11-26-17/h4-7,9-10,15,19H,2-3,8,11H2,1H3,(H,23,24)