1-[3-bromanyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-bromanyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-bromo-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-bromo-1,4-dioxo-4-(3,4,5-trimethoxyphenyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-bromo-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-bromo-4-keto-4-(3,4,5-trimethoxyphenyl)butanoyl]proline Formula: C18H22BrNO7 MolecularWeight: 444.27378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(CC(=O)N2CCCC2C(=O)O)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(CC(=O)N2CCCC2C(=O)O)Br

InChI

InChI=1S/C18H22BrNO7/c1-25-13-7-10(8-14(26-2)17(13)27-3)16(22)11(19)9-15(21)20-6-4-5-12(20)18(23)24/h7-8,11-12H,4-6,9H2,1-3H3,(H,23,24)