4-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-bromo-4,6-difluoro-phenyl)carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[(2-bromo-4,6-difluoroanilino)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-bromo-4,6-difluorophenyl)carbamoyl-methylamino]butanoic acid Traditional Name: 4-[(2-bromo-4,6-difluoro-phenyl)carbamoyl-methyl-amino]butyric acid Formula: C12H13BrF2N2O3 MolecularWeight: 351.144026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=C(C=C(C=C1Br)F)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=C(C=C(C=C1Br)F)F

InChI

InChI=1S/C12H13BrF2N2O3/c1-17(4-2-3-10(18)19)12(20)16-11-8(13)5-7(14)6-9(11)15/h5-6H,2-4H2,1H3,(H,16,20)(H,18,19)