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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-furyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-furanyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-furyl)methyl]proline Formula: C18H20BrNO5 MolecularWeight: 410.2591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CO2)N3CCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CO2)N3CCCC3C(=O)O)Br)OC

InChI

InChI=1S/C18H20BrNO5/c1-23-15-9-11(12(19)10-16(15)24-2)17(14-6-4-8-25-14)20-7-3-5-13(20)18(21)22/h4,6,8-10,13,17H,3,5,7H2,1-2H3,(H,21,22)