1-[3-bromanyl-4-(3-fluorophenyl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-bromanyl-4-(3-fluorophenyl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-bromo-4-(3-fluorophenyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-bromo-4-(3-fluorophenyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-bromo-4-(3-fluorophenyl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-bromo-4-(3-fluorophenyl)-4-keto-2-methyl-butanoyl]proline Formula: C16H17BrFNO4 MolecularWeight: 386.212883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC(=CC=C1)F)Br)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC(=CC=C1)F)Br)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H17BrFNO4/c1-9(15(21)19-7-3-6-12(19)16(22)23)13(17)14(20)10-4-2-5-11(18)8-10/h2,4-5,8-9,12-13H,3,6-7H2,1H3,(H,22,23)